1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene

C91H94O12 — CID 157298589

IUPAC1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene
SMILESCCOc1ccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.COc1ccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.COc1cccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)c1.Cc1ccc(OC(Oc2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C24H26O3.C23H24O3.2C22H22O3/c1-17(2)25-21-15-9-20(10-16-21)24(26-22-11-5-18(3)6-12-22)27-23-13-7-19(4)8-14-23;1-4-24-20-15-9-19(10-16-20)23(25-21-11-5-17(2)6-12-21)26-22-13-7-18(3)8-14-22;1-16-4-10-20(11-5-16)24-22(18-8-14-19(23-3)15-9-18)25-21-12-6-17(2)7-13-21;1-16-7-11-19(12-8-16)24-22(18-5-4-6-21(15-18)23-3)25-20-13-9-17(2)10-14-20/h5-17,24H,1-4H3;5-16,23H,4H2,1-3H3;2*4-15,22H,1-3H3
InChIKeyBBPZUMRZZDYCGW-UHFFFAOYSA-N
MW1379.74 g/mol
LogP23.04
Rot. Bonds26

About 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene

1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene (PubChem CID 157298589) has the molecular formula C91H94O12 and a molecular weight of 1379.74 g/mol. Its IUPAC name is 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene
PubChem CID157298589
Molecular FormulaC91H94O12
Molecular Weight1379.74 g/mol
Exact Mass1378.67
IUPAC Name1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene
SMILESCCOc1ccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.COc1ccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.COc1cccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)c1.Cc1ccc(OC(Oc2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C24H26O3.C23H24O3.2C22H22O3/c1-17(2)25-21-15-9-20(10-16-21)24(26-22-11-5-18(3)6-12-22)27-23-13-7-19(4)8-14-23;1-4-24-20-15-9-19(10-16-20)23(25-21-11-5-17(2)6-12-21)26-22-13-7-18(3)8-14-22;1-16-4-10-20(11-5-16)24-22(18-8-14-19(23-3)15-9-18)25-21-12-6-17(2)7-13-21;1-16-7-11-19(12-8-16)24-22(18-5-4-6-21(15-18)23-3)25-20-13-9-17(2)10-14-20/h5-17,24H,1-4H3;5-16,23H,4H2,1-3H3;2*4-15,22H,1-3H3
InChIKeyBBPZUMRZZDYCGW-UHFFFAOYSA-N
XLogP23.04
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.74
LogP ≤ 523.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
1-[chloro-(3-propan-2-yloxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430154
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene
CID 159264370
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
CID 62337452
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63520593
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 106790887

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene (CID 157298589) is 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene is CCOc1ccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.COc1ccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.COc1cccc(C(Oc2ccc(C)cc2)Oc2ccc(C)cc2)c1.Cc1ccc(OC(Oc2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene?
The InChIKey is BBPZUMRZZDYCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3.C23H24O3.2C22H22O3/c1-17(2)25-21-15-9-20(10-16-21)24(26-22-11-5-18(3)6-12-22)27-23-13-7-19(4)8-14-23;1-4-24-20-15-9-19(10-16-20)23(25-21-11-5-17(2)6-12-21)26-22-13-7-18(3)8-14-22;1-16-4-10-20(11-5-16)24-22(18-8-14-19(23-3)15-9-18)25-21-12-6-17(2)7-13-21;1-16-7-11-19(12-8-16)24-22(18-5-4-6-21(15-18)23-3)25-20-13-9-17(2)10-14-20/h5-17,24H,1-4H3;5-16,23H,4H2,1-3H3;2*4-15,22H,1-3H3.
What are the key properties of 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene?
1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene has a molecular weight of 1379.74 g/mol, XLogP of 23.04, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 157298589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).