[2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol

C26H21ClO2 — CID 168802937

IUPAC[2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol
SMILESCOc1cc(Cl)ccc1-c1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21ClO2/c1-29-25-18-21(27)16-17-23(25)22-14-8-9-15-24(22)26(28,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-18,28H,1H3
InChIKeyYKMHMQQGWGOPGW-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.30
Rot. Bonds5

About [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol

[2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol (PubChem CID 168802937) has the molecular formula C26H21ClO2 and a molecular weight of 400.91 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol
PubChem CID168802937
Molecular FormulaC26H21ClO2
Molecular Weight400.91 g/mol
Exact Mass400.12
IUPAC Name[2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol
SMILESCOc1cc(Cl)ccc1-c1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21ClO2/c1-29-25-18-21(27)16-17-23(25)22-14-8-9-15-24(22)26(28,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-18,28H,1H3
InChIKeyYKMHMQQGWGOPGW-UHFFFAOYSA-N
XLogP6.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
[2-(3-methoxyphenyl)phenyl]-diphenylmethanol
CID 11710362
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
(3-methoxynaphthalen-2-yl)-diphenylmethanol
CID 135034011
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
CID 146321762
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
[2-[2-(hydroxymethyl)phenyl]phenyl]-diphenylmethanol
CID 102081145
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol?
The IUPAC name of [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol (CID 168802937) is [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol.
What is the SMILES notation for [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol?
The canonical SMILES for [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol is COc1cc(Cl)ccc1-c1ccccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol?
The InChIKey is YKMHMQQGWGOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClO2/c1-29-25-18-21(27)16-17-23(25)22-14-8-9-15-24(22)26(28,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-18,28H,1H3.
What are the key properties of [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol?
[2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol has a molecular weight of 400.91 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxyphenyl)phenyl]-diphenylmethanol is sourced from PubChem (CID 168802937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).