3-(2-chlorophenyl)-4-methylpentan-1-ol

C12H17ClO — CID 82078258

IUPAC3-(2-chlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-9(2)10(7-8-14)11-5-3-4-6-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyLPPFOBWCJWQQHP-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.46
Rot. Bonds4

About 3-(2-chlorophenyl)-4-methylpentan-1-ol

3-(2-chlorophenyl)-4-methylpentan-1-ol (PubChem CID 82078258) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-methylpentan-1-ol
PubChem CID82078258
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name3-(2-chlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-9(2)10(7-8-14)11-5-3-4-6-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyLPPFOBWCJWQQHP-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
3-(2-chlorophenyl)-3-methoxypropan-1-ol
CID 105453227
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755726
3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene
CID 143572824
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
CID 55098928
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
[(3S)-3-(2-chlorophenyl)-5-hydroxy-2-methylpentan-2-yl] carbamate
CID 174774353

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-methylpentan-1-ol?
The IUPAC name of 3-(2-chlorophenyl)-4-methylpentan-1-ol (CID 82078258) is 3-(2-chlorophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2-chlorophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2-chlorophenyl)-4-methylpentan-1-ol is CC(C)C(CCO)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-methylpentan-1-ol?
The InChIKey is LPPFOBWCJWQQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-9(2)10(7-8-14)11-5-3-4-6-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-4-methylpentan-1-ol?
3-(2-chlorophenyl)-4-methylpentan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 82078258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).