1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol

C14H21ClO2 — CID 115788971

IUPAC1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H21ClO2/c1-4-5-10(2)8-13(16)12-7-6-11(15)9-14(12)17-3/h6-7,9-10,13,16H,4-5,8H2,1-3H3
InChIKeyKSAUWYNYHKRKQM-UHFFFAOYSA-N
MW256.77 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol

1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol (PubChem CID 115788971) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
PubChem CID115788971
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H21ClO2/c1-4-5-10(2)8-13(16)12-7-6-11(15)9-14(12)17-3/h6-7,9-10,13,16H,4-5,8H2,1-3H3
InChIKeyKSAUWYNYHKRKQM-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
1-(2-chloro-4-methylphenyl)-3-methylhexan-1-ol
CID 106859160
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol (CID 115788971) is 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol is CCCC(C)CC(O)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol?
The InChIKey is KSAUWYNYHKRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-4-5-10(2)8-13(16)12-7-6-11(15)9-14(12)17-3/h6-7,9-10,13,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol?
1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol has a molecular weight of 256.77 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol is sourced from PubChem (CID 115788971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).