1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol

C17H19ClO3 — CID 65446198

IUPAC1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2ccc(Cl)cc2C(C)O)cc1
InChIInChI=1S/C17H19ClO3/c1-12(19)16-11-14(18)5-8-17(16)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyAUVLZUCXJSVJIG-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.02
Rot. Bonds6

About 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol

1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (PubChem CID 65446198) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
PubChem CID65446198
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2ccc(Cl)cc2C(C)O)cc1
InChIInChI=1S/C17H19ClO3/c1-12(19)16-11-14(18)5-8-17(16)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyAUVLZUCXJSVJIG-UHFFFAOYSA-N
XLogP4.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
CID 65445812
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
CID 55188616
(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65447336
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
CID 65445631
1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
CID 115402000

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (CID 65446198) is 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is COc1ccc(CCOc2ccc(Cl)cc2C(C)O)cc1.
What is the InChIKey of 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The InChIKey is AUVLZUCXJSVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-12(19)16-11-14(18)5-8-17(16)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol has a molecular weight of 306.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 65446198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).