1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol

C16H17ClO2 — CID 55031626

IUPAC1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1cccc(COc2ccc(Cl)cc2C(C)O)c1
InChIInChI=1S/C16H17ClO2/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(17)9-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyQXSHSYQQPMDYHR-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.28
Rot. Bonds4

About 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol

1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 55031626) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
PubChem CID55031626
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1cccc(COc2ccc(Cl)cc2C(C)O)c1
InChIInChI=1S/C16H17ClO2/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(17)9-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyQXSHSYQQPMDYHR-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-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333
(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 79009046
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
CID 104890071
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol (CID 55031626) is 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol is Cc1cccc(COc2ccc(Cl)cc2C(C)O)c1.
What is the InChIKey of 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is QXSHSYQQPMDYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(17)9-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol?
1-[5-chloro-2-[(3-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-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 55031626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).