1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol

C17H19ClO2 — CID 106864318

IUPAC1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(COc2ccc(C)cc2C(C)O)c(Cl)c1
InChIInChI=1S/C17H19ClO2/c1-11-5-7-17(15(8-11)13(3)19)20-10-14-6-4-12(2)9-16(14)18/h4-9,13,19H,10H2,1-3H3
InChIKeyVGVPRNHMLYGJNQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.59
Rot. Bonds4

About 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol

1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol (PubChem CID 106864318) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
PubChem CID106864318
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(COc2ccc(C)cc2C(C)O)c(Cl)c1
InChIInChI=1S/C17H19ClO2/c1-11-5-7-17(15(8-11)13(3)19)20-10-14-6-4-12(2)9-16(14)18/h4-9,13,19H,10H2,1-3H3
InChIKeyVGVPRNHMLYGJNQ-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol (CID 106864318) is 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol is Cc1ccc(COc2ccc(C)cc2C(C)O)c(Cl)c1.
What is the InChIKey of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol?
The InChIKey is VGVPRNHMLYGJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11-5-7-17(15(8-11)13(3)19)20-10-14-6-4-12(2)9-16(14)18/h4-9,13,19H,10H2,1-3H3.
What are the key properties of 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol?
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol has a molecular weight of 290.79 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 106864318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).