1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol

C16H17ClO2 — CID 106864305

IUPAC1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2ccc(C(C)O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClO2/c1-11-3-4-14(16(17)9-11)10-19-15-7-5-13(6-8-15)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyXMGQXCANARBUOT-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.28
Rot. Bonds4

About 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol

1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 106864305) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol
PubChem CID106864305
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2ccc(C(C)O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClO2/c1-11-3-4-14(16(17)9-11)10-19-15-7-5-13(6-8-15)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyXMGQXCANARBUOT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-1-ol
CID 106864374
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol (CID 106864305) is 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol is Cc1ccc(COc2ccc(C(C)O)cc2)c(Cl)c1.
What is the InChIKey of 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is XMGQXCANARBUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-3-4-14(16(17)9-11)10-19-15-7-5-13(6-8-15)12(2)18/h3-9,12,18H,10H2,1-2H3.
What are the key properties of 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol?
1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol has a molecular weight of 276.76 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 106864305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).