1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol

C31H32O6 — CID 67742855

IUPAC1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
SMILESCOc1ccc(COc2ccc(C(C)(O)OCc3ccccc3)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32O6/c1-31(32,37-22-23-7-5-4-6-8-23)26-13-18-29(35-20-24-9-14-27(33-2)15-10-24)30(19-26)36-21-25-11-16-28(34-3)17-12-25/h4-19,32H,20-22H2,1-3H3
InChIKeyPOYQKMIDSNDBCY-UHFFFAOYSA-N
MW500.59 g/mol
LogP6.24
Rot. Bonds12

About 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol

1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol (PubChem CID 67742855) has the molecular formula C31H32O6 and a molecular weight of 500.59 g/mol. Its IUPAC name is 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol.

Molecular Properties

Compound Name1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
PubChem CID67742855
Molecular FormulaC31H32O6
Molecular Weight500.59 g/mol
Exact Mass500.22
IUPAC Name1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
SMILESCOc1ccc(COc2ccc(C(C)(O)OCc3ccccc3)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32O6/c1-31(32,37-22-23-7-5-4-6-8-23)26-13-18-29(35-20-24-9-14-27(33-2)15-10-24)30(19-26)36-21-25-11-16-28(34-3)17-12-25/h4-19,32H,20-22H2,1-3H3
InChIKeyPOYQKMIDSNDBCY-UHFFFAOYSA-N
XLogP6.24
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene
CID 86604223
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
(2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid
CID 153349477
1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene
CID 72521218
3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
CID 141383099
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol?
The IUPAC name of 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol (CID 67742855) is 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol.
What is the SMILES notation for 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol?
The canonical SMILES for 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol is COc1ccc(COc2ccc(C(C)(O)OCc3ccccc3)cc2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol?
The InChIKey is POYQKMIDSNDBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O6/c1-31(32,37-22-23-7-5-4-6-8-23)26-13-18-29(35-20-24-9-14-27(33-2)15-10-24)30(19-26)36-21-25-11-16-28(34-3)17-12-25/h4-19,32H,20-22H2,1-3H3.
What are the key properties of 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol?
1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol has a molecular weight of 500.59 g/mol, XLogP of 6.24, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol is sourced from PubChem (CID 67742855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).