2-chloro-2-methyl-3-phenylpropan-1-ol

C10H13ClO — CID 130128732

IUPAC2-chloro-2-methyl-3-phenylpropan-1-ol
SMILESCC(Cl)(CO)Cc1ccccc1
InChIInChI=1S/C10H13ClO/c1-10(11,8-12)7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3
InChIKeyHLKKNIMVNJYHLQ-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-2-methyl-3-phenylpropan-1-ol

2-chloro-2-methyl-3-phenylpropan-1-ol (PubChem CID 130128732) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-2-methyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-chloro-2-methyl-3-phenylpropan-1-ol
PubChem CID130128732
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-chloro-2-methyl-3-phenylpropan-1-ol
SMILESCC(Cl)(CO)Cc1ccccc1
InChIInChI=1S/C10H13ClO/c1-10(11,8-12)7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3
InChIKeyHLKKNIMVNJYHLQ-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.22
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

2,2-dimethylpropylbenzene;methanol
CID 157125736
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
phenylmethanol;tetrachloromethane
CID 174952839
2-chloro-2-phenylpropan-1-ol
CID 21408065
methanol;phenylmethanol
CID 19822462
3,3-dichloro-2-ethyl-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 67745644
(2-fluoro-2-methylpropyl)benzene
CID 14343442
chloro-tris(2-methyl-1-phenylpropan-2-yl)stannane
CID 70459923
N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
CID 141409556
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyl-3-phenylpropan-1-ol?
The IUPAC name of 2-chloro-2-methyl-3-phenylpropan-1-ol (CID 130128732) is 2-chloro-2-methyl-3-phenylpropan-1-ol.
What is the SMILES notation for 2-chloro-2-methyl-3-phenylpropan-1-ol?
The canonical SMILES for 2-chloro-2-methyl-3-phenylpropan-1-ol is CC(Cl)(CO)Cc1ccccc1.
What is the InChIKey of 2-chloro-2-methyl-3-phenylpropan-1-ol?
The InChIKey is HLKKNIMVNJYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-10(11,8-12)7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3.
What are the key properties of 2-chloro-2-methyl-3-phenylpropan-1-ol?
2-chloro-2-methyl-3-phenylpropan-1-ol has a molecular weight of 184.67 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyl-3-phenylpropan-1-ol is sourced from PubChem (CID 130128732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).