[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol

C14H19ClO3 — CID 61343380

IUPAC[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C14H19ClO3/c1-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-2-3-5-10/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyCYTQXRUSRBIQNF-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.41
Rot. Bonds5

About [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol

[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol (PubChem CID 61343380) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
PubChem CID61343380
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C14H19ClO3/c1-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-2-3-5-10/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyCYTQXRUSRBIQNF-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320
1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol?
The IUPAC name of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol (CID 61343380) is [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol is COc1cc(CO)cc(Cl)c1OCC1CCCC1.
What is the InChIKey of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol?
The InChIKey is CYTQXRUSRBIQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-2-3-5-10/h6-7,10,16H,2-5,8-9H2,1H3.
What are the key properties of [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol?
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol has a molecular weight of 270.76 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol is sourced from PubChem (CID 61343380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).