1-(3-chlorophenyl)-6-methylheptan-4-ol

C14H21ClO — CID 141283278

IUPAC1-(3-chlorophenyl)-6-methylheptan-4-ol
SMILESCC(C)CC(O)CCCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClO/c1-11(2)9-14(16)8-4-6-12-5-3-7-13(15)10-12/h3,5,7,10-11,14,16H,4,6,8-9H2,1-2H3
InChIKeySUSRHSLHVUDPCQ-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.07
Rot. Bonds6

About 1-(3-chlorophenyl)-6-methylheptan-4-ol

1-(3-chlorophenyl)-6-methylheptan-4-ol (PubChem CID 141283278) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-methylheptan-4-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-methylheptan-4-ol
PubChem CID141283278
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name1-(3-chlorophenyl)-6-methylheptan-4-ol
SMILESCC(C)CC(O)CCCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClO/c1-11(2)9-14(16)8-4-6-12-5-3-7-13(15)10-12/h3,5,7,10-11,14,16H,4,6,8-9H2,1-2H3
InChIKeySUSRHSLHVUDPCQ-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(7-methyloctyl)benzene
CID 168947295
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
1-chloro-3-octylbenzene
CID 11458768
(2S)-2-[3-(3-chlorophenyl)propoxycarbonylamino]-4-methylpentanoic acid
CID 166169841
methyl 5-(3-chlorophenyl)-2-[(E)-hydroxyiminomethyl]pentanoate
CID 139477487
5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
2-butan-2-yloxycarbonyl-5-(3-chlorophenyl)pentanoic acid
CID 70549431
6-(3-methylphenyl)hexan-3-ol
CID 64513249

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-methylheptan-4-ol?
The IUPAC name of 1-(3-chlorophenyl)-6-methylheptan-4-ol (CID 141283278) is 1-(3-chlorophenyl)-6-methylheptan-4-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-6-methylheptan-4-ol?
The canonical SMILES for 1-(3-chlorophenyl)-6-methylheptan-4-ol is CC(C)CC(O)CCCc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-6-methylheptan-4-ol?
The InChIKey is SUSRHSLHVUDPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-11(2)9-14(16)8-4-6-12-5-3-7-13(15)10-12/h3,5,7,10-11,14,16H,4,6,8-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-6-methylheptan-4-ol?
1-(3-chlorophenyl)-6-methylheptan-4-ol has a molecular weight of 240.77 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-methylheptan-4-ol is sourced from PubChem (CID 141283278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).