[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol

C16H16Cl2O2 — CID 97179315

IUPAC[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol
SMILESCc1ccc(CO)c(OCc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C16H16Cl2O2/c1-10-3-5-13(8-19)16(11(10)2)20-9-12-4-6-14(17)15(18)7-12/h3-7,19H,8-9H2,1-2H3
InChIKeyWBGSGBRSKNFRJP-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.68
Rot. Bonds4

About [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol

[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol (PubChem CID 97179315) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol
PubChem CID97179315
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol
SMILESCc1ccc(CO)c(OCc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C16H16Cl2O2/c1-10-3-5-13(8-19)16(11(10)2)20-9-12-4-6-14(17)15(18)7-12/h3-7,19H,8-9H2,1-2H3
InChIKeyWBGSGBRSKNFRJP-UHFFFAOYSA-N
XLogP4.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 97179311
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
CID 63536214
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol?
The IUPAC name of [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol (CID 97179315) is [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol is Cc1ccc(CO)c(OCc2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol?
The InChIKey is WBGSGBRSKNFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-10-3-5-13(8-19)16(11(10)2)20-9-12-4-6-14(17)15(18)7-12/h3-7,19H,8-9H2,1-2H3.
What are the key properties of [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol?
[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol has a molecular weight of 311.21 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol is sourced from PubChem (CID 97179315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).