(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol

C39H32O3 — CID 58238515

IUPAC(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol
SMILESCOc1c(-c2ccccc2)cccc1C(O)(c1ccccc1)c1cccc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C39H32O3/c1-41-37-33(30-18-8-3-9-19-30)24-14-26-35(37)39(40,32-22-12-5-13-23-32)36-27-15-25-34(31-20-10-4-11-21-31)38(36)42-28-29-16-6-2-7-17-29/h2-27,40H,28H2,1H3
InChIKeyUYIDXBXYRHOEBS-UHFFFAOYSA-N
MW548.68 g/mol
LogP8.89
Rot. Bonds9

About (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol

(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol (PubChem CID 58238515) has the molecular formula C39H32O3 and a molecular weight of 548.68 g/mol. Its IUPAC name is (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol
PubChem CID58238515
Molecular FormulaC39H32O3
Molecular Weight548.68 g/mol
Exact Mass548.24
IUPAC Name(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol
SMILESCOc1c(-c2ccccc2)cccc1C(O)(c1ccccc1)c1cccc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C39H32O3/c1-41-37-33(30-18-8-3-9-19-30)24-14-26-35(37)39(40,32-22-12-5-13-23-32)36-27-15-25-34(31-20-10-4-11-21-31)38(36)42-28-29-16-6-2-7-17-29/h2-27,40H,28H2,1H3
InChIKeyUYIDXBXYRHOEBS-UHFFFAOYSA-N
XLogP8.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.68
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
(3-tert-butyl-2-phenylmethoxyphenyl)-(2-methoxy-3-phenylphenyl)methanol
CID 70653939
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
2-methoxy-1,3-diphenylbenzene
CID 23524590
2-(2-methoxyphenyl)-1-(3-phenyl-2-phenylmethoxyphenyl)ethanol
CID 67151271
1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene
CID 58238534
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
2,4-bis[3-(3-tert-butyl-2-phenylmethoxyphenyl)phenyl]pentan-3-one
CID 174662245
[2-(3-methoxyphenyl)phenyl]-diphenylmethanol
CID 11710362
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol
CID 87308555
2-phenylmethoxybenzene-1,3-diol
CID 15652625

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol?
The IUPAC name of (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol (CID 58238515) is (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol?
The canonical SMILES for (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol is COc1c(-c2ccccc2)cccc1C(O)(c1ccccc1)c1cccc(-c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol?
The InChIKey is UYIDXBXYRHOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O3/c1-41-37-33(30-18-8-3-9-19-30)24-14-26-35(37)39(40,32-22-12-5-13-23-32)36-27-15-25-34(31-20-10-4-11-21-31)38(36)42-28-29-16-6-2-7-17-29/h2-27,40H,28H2,1H3.
What are the key properties of (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol?
(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol has a molecular weight of 548.68 g/mol, XLogP of 8.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 58238515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).