(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol

C26H21ClO2 — CID 166175292

IUPAC(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol
SMILESOC(c1ccccc1)(c1cccc(OCc2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C26H21ClO2/c27-25-17-8-7-16-24(25)26(28,21-12-5-2-6-13-21)22-14-9-15-23(18-22)29-19-20-10-3-1-4-11-20/h1-18,28H,19H2
InChIKeyVZLNBLBXURQWMT-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.20
Rot. Bonds6

About (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol

(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol (PubChem CID 166175292) has the molecular formula C26H21ClO2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol
PubChem CID166175292
Molecular FormulaC26H21ClO2
Molecular Weight400.91 g/mol
Exact Mass400.12
IUPAC Name(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol
SMILESOC(c1ccccc1)(c1cccc(OCc2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C26H21ClO2/c27-25-17-8-7-16-24(25)26(28,21-12-5-2-6-13-21)22-14-9-15-23(18-22)29-19-20-10-3-1-4-11-20/h1-18,28H,19H2
InChIKeyVZLNBLBXURQWMT-UHFFFAOYSA-N
XLogP6.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.20
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

2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
(2R,3S)-3-benzyl-4-(dimethylamino)-2-(3-phenylmethoxyphenyl)butan-2-ol;hydrochloride
CID 70009427
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
CID 15049958
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
CID 57452903
CID 57452903
1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
CID 118736450
1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol
CID 132965988
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
1-(2-methyl-1-prop-2-enoxypropan-2-yl)-3-phenylmethoxybenzene
CID 59204436

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol?
The IUPAC name of (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol (CID 166175292) is (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol?
The canonical SMILES for (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol is OC(c1ccccc1)(c1cccc(OCc2ccccc2)c1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol?
The InChIKey is VZLNBLBXURQWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClO2/c27-25-17-8-7-16-24(25)26(28,21-12-5-2-6-13-21)22-14-9-15-23(18-22)29-19-20-10-3-1-4-11-20/h1-18,28H,19H2.
What are the key properties of (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol?
(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol has a molecular weight of 400.91 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 166175292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).