1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol

C15H23ClO2 — CID 167489214

IUPAC1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
SMILESCCC(C)CCCC(O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H23ClO2/c1-4-11(2)6-5-7-14(17)12-8-9-15(18-3)13(16)10-12/h8-11,14,17H,4-7H2,1-3H3
InChIKeyJGSPDFQCPXKSCB-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.60
Rot. Bonds7

About 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol

1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol (PubChem CID 167489214) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
PubChem CID167489214
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
SMILESCCC(C)CCCC(O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H23ClO2/c1-4-11(2)6-5-7-14(17)12-8-9-15(18-3)13(16)10-12/h8-11,14,17H,4-7H2,1-3H3
InChIKeyJGSPDFQCPXKSCB-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
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1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
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CID 43130948
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol (CID 167489214) is 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol is CCC(C)CCCC(O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol?
The InChIKey is JGSPDFQCPXKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-4-11(2)6-5-7-14(17)12-8-9-15(18-3)13(16)10-12/h8-11,14,17H,4-7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol?
1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol is sourced from PubChem (CID 167489214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).