[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol

C14H19ClO3 — CID 112612756

IUPAC[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol
SMILESCOC1CCCC(Oc2c(Cl)cccc2CO)C1
InChIInChI=1S/C14H19ClO3/c1-17-11-5-3-6-12(8-11)18-14-10(9-16)4-2-7-13(14)15/h2,4,7,11-12,16H,3,5-6,8-9H2,1H3
InChIKeyTVNWVVFTDYWFTK-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.17
Rot. Bonds4

About [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol

[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol (PubChem CID 112612756) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol
PubChem CID112612756
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol
SMILESCOC1CCCC(Oc2c(Cl)cccc2CO)C1
InChIInChI=1S/C14H19ClO3/c1-17-11-5-3-6-12(8-11)18-14-10(9-16)4-2-7-13(14)15/h2,4,7,11-12,16H,3,5-6,8-9H2,1H3
InChIKeyTVNWVVFTDYWFTK-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]prop-2-enoic acid
CID 115957079
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine
CID 115951963
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215313
3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
CID 104831451
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
1-chloro-2-cyclopentyloxy-3-fluorobenzene
CID 130057769
[3-methyl-2-(oxan-4-yloxy)phenyl]methanol
CID 112612396

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol?
The IUPAC name of [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol (CID 112612756) is [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol.
What is the SMILES notation for [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol?
The canonical SMILES for [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol is COC1CCCC(Oc2c(Cl)cccc2CO)C1.
What is the InChIKey of [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol?
The InChIKey is TVNWVVFTDYWFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-17-11-5-3-6-12(8-11)18-14-10(9-16)4-2-7-13(14)15/h2,4,7,11-12,16H,3,5-6,8-9H2,1H3.
What are the key properties of [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol?
[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol has a molecular weight of 270.76 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol is sourced from PubChem (CID 112612756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).