[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol

C16H17ClO3 — CID 106864284

IUPAC[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C16H17ClO3/c1-11-3-5-13(14(17)7-11)10-20-16-8-12(9-18)4-6-15(16)19-2/h3-8,18H,9-10H2,1-2H3
InChIKeyDWYDRSAJYUYYPS-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.73
Rot. Bonds5

About [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol

[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol (PubChem CID 106864284) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol
PubChem CID106864284
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C16H17ClO3/c1-11-3-5-13(14(17)7-11)10-20-16-8-12(9-18)4-6-15(16)19-2/h3-8,18H,9-10H2,1-2H3
InChIKeyDWYDRSAJYUYYPS-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 106868969
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol (CID 106864284) is [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1OCc1ccc(C)cc1Cl.
What is the InChIKey of [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol?
The InChIKey is DWYDRSAJYUYYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-11-3-5-13(14(17)7-11)10-20-16-8-12(9-18)4-6-15(16)19-2/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol?
[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol has a molecular weight of 292.76 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol is sourced from PubChem (CID 106864284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).