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

C16H17ClO3 — CID 43424347

IUPAC1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(Cl)cc1COc1ccc(C(C)O)cc1
InChIInChI=1S/C16H17ClO3/c1-11(18)12-3-6-15(7-4-12)20-10-13-9-14(17)5-8-16(13)19-2/h3-9,11,18H,10H2,1-2H3
InChIKeyVIZPWCFIGLACND-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.98
Rot. Bonds5

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

1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 43424347) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
PubChem CID43424347
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(Cl)cc1COc1ccc(C(C)O)cc1
InChIInChI=1S/C16H17ClO3/c1-11(18)12-3-6-15(7-4-12)20-10-13-9-14(17)5-8-16(13)19-2/h3-9,11,18H,10H2,1-2H3
InChIKeyVIZPWCFIGLACND-UHFFFAOYSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 63365402
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
CID 78930283
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
[2-[(5-chloro-2-methoxyphenyl)methoxy]-4-methoxyphenyl]methanol
CID 61268126
N-[[5-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782260

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol (CID 43424347) is 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol is COc1ccc(Cl)cc1COc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is VIZPWCFIGLACND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-11(18)12-3-6-15(7-4-12)20-10-13-9-14(17)5-8-16(13)19-2/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol?
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol has a molecular weight of 292.76 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 43424347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).