1-chloro-7-phenylheptan-4-ol

C13H19ClO — CID 54140253

IUPAC1-chloro-7-phenylheptan-4-ol
SMILESOC(CCCCl)CCCc1ccccc1
InChIInChI=1S/C13H19ClO/c14-11-5-10-13(15)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyOAPCISHBAOGGFB-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.39
Rot. Bonds7

About 1-chloro-7-phenylheptan-4-ol

1-chloro-7-phenylheptan-4-ol (PubChem CID 54140253) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-chloro-7-phenylheptan-4-ol.

Molecular Properties

Compound Name1-chloro-7-phenylheptan-4-ol
PubChem CID54140253
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-chloro-7-phenylheptan-4-ol
SMILESOC(CCCCl)CCCc1ccccc1
InChIInChI=1S/C13H19ClO/c14-11-5-10-13(15)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyOAPCISHBAOGGFB-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-phenylpentane-1,2-diol
CID 102483629
1-(dimethylamino)-5-phenylpentan-2-ol
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CID 139805992
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
1-phenylheptan-3-ol
CID 10420110
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942
4-chlorobutylbenzene;ethane
CID 142108519
1-methylsulfonyl-5-phenylpentan-2-ol
CID 15270511
(3R,5R)-8-phenyloct-1-ene-3,5-diol
CID 118075336
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
3-methyl-6-phenylhexan-2-ol
CID 54498182

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-phenylheptan-4-ol?
The IUPAC name of 1-chloro-7-phenylheptan-4-ol (CID 54140253) is 1-chloro-7-phenylheptan-4-ol.
What is the SMILES notation for 1-chloro-7-phenylheptan-4-ol?
The canonical SMILES for 1-chloro-7-phenylheptan-4-ol is OC(CCCCl)CCCc1ccccc1.
What is the InChIKey of 1-chloro-7-phenylheptan-4-ol?
The InChIKey is OAPCISHBAOGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c14-11-5-10-13(15)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2.
What are the key properties of 1-chloro-7-phenylheptan-4-ol?
1-chloro-7-phenylheptan-4-ol has a molecular weight of 226.75 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-phenylheptan-4-ol is sourced from PubChem (CID 54140253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).