[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol

C16H17ClO2 — CID 54910865

IUPAC[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)cc(COc2ccc(Cl)cc2CO)c1
InChIInChI=1S/C16H17ClO2/c1-11-5-12(2)7-13(6-11)10-19-16-4-3-15(17)8-14(16)9-18/h3-8,18H,9-10H2,1-2H3
InChIKeyNWZXVPQOKWLGAO-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.03
Rot. Bonds4

About [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol

[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol (PubChem CID 54910865) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
PubChem CID54910865
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)cc(COc2ccc(Cl)cc2CO)c1
InChIInChI=1S/C16H17ClO2/c1-11-5-12(2)7-13(6-11)10-19-16-4-3-15(17)8-14(16)9-18/h3-8,18H,9-10H2,1-2H3
InChIKeyNWZXVPQOKWLGAO-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

[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
CID 78906184
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
tert-butyl 2-[4-chloro-2-(hydroxymethyl)phenoxy]acetate
CID 86631069
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol (CID 54910865) is [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol is Cc1cc(C)cc(COc2ccc(Cl)cc2CO)c1.
What is the InChIKey of [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
The InChIKey is NWZXVPQOKWLGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-5-12(2)7-13(6-11)10-19-16-4-3-15(17)8-14(16)9-18/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]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 [5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 54910865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).