[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol

C16H17ClO2 — CID 28933245

IUPAC[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c1-11-6-14(9-18)7-12(2)16(11)19-10-13-4-3-5-15(17)8-13/h3-8,18H,9-10H2,1-2H3
InChIKeyDMANLDVTDOGHEQ-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.03
Rot. Bonds4

About [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol

[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol (PubChem CID 28933245) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol
PubChem CID28933245
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c1-11-6-14(9-18)7-12(2)16(11)19-10-13-4-3-5-15(17)8-13/h3-8,18H,9-10H2,1-2H3
InChIKeyDMANLDVTDOGHEQ-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60879302
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]boronic acid
CID 63456607
2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933274
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106
(E)-3-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957240
[4-[(2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933284
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol (CID 28933245) is [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol is Cc1cc(CO)cc(C)c1OCc1cccc(Cl)c1.
What is the InChIKey of [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The InChIKey is DMANLDVTDOGHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-6-14(9-18)7-12(2)16(11)19-10-13-4-3-5-15(17)8-13/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol has a molecular weight of 276.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 28933245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).