(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol

C25H28O5 — CID 24800476

IUPAC(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol
SMILESCOc1c(C(C)C)cc(C(O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C25H28O5/c1-16(2)20-15-21(24(28-4)25(29-5)23(20)27-3)22(26)17-11-13-19(14-12-17)30-18-9-7-6-8-10-18/h6-16,22,26H,1-5H3
InChIKeyABEJAQZOALWNAQ-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.71
Rot. Bonds8

About (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol

(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol (PubChem CID 24800476) has the molecular formula C25H28O5 and a molecular weight of 408.49 g/mol. Its IUPAC name is (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol
PubChem CID24800476
Molecular FormulaC25H28O5
Molecular Weight408.49 g/mol
Exact Mass408.19
IUPAC Name(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol
SMILESCOc1c(C(C)C)cc(C(O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C25H28O5/c1-16(2)20-15-21(24(28-4)25(29-5)23(20)27-3)22(26)17-11-13-19(14-12-17)30-18-9-7-6-8-10-18/h6-16,22,26H,1-5H3
InChIKeyABEJAQZOALWNAQ-UHFFFAOYSA-N
XLogP5.71
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol
CID 24800824
5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde
CID 24800651
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene
CID 143595124
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene
CID 173271154
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
2-[4-[2-[hydroxy-(4-methylphenyl)methyl]-4-methoxy-5-propan-2-ylphenoxy]phenyl]acetic acid
CID 70142207

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol?
The IUPAC name of (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol (CID 24800476) is (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol.
What is the SMILES notation for (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol?
The canonical SMILES for (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol is COc1c(C(C)C)cc(C(O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC.
What is the InChIKey of (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol?
The InChIKey is ABEJAQZOALWNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O5/c1-16(2)20-15-21(24(28-4)25(29-5)23(20)27-3)22(26)17-11-13-19(14-12-17)30-18-9-7-6-8-10-18/h6-16,22,26H,1-5H3.
What are the key properties of (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol?
(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol has a molecular weight of 408.49 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol is sourced from PubChem (CID 24800476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).