2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol

C12H17ClO — CID 106870597

IUPAC2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H17ClO/c1-3-10(8-14)7-11-5-4-9(2)6-12(11)13/h4-6,10,14H,3,7-8H2,1-2H3
InChIKeyRGBZLWCQVGWZAZ-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.21
Rot. Bonds4

About 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol

2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol (PubChem CID 106870597) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
PubChem CID106870597
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H17ClO/c1-3-10(8-14)7-11-5-4-9(2)6-12(11)13/h4-6,10,14H,3,7-8H2,1-2H3
InChIKeyRGBZLWCQVGWZAZ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[2-(chloromethyl)-4-methylpentyl]-4-methylbenzene
CID 106870652
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
CID 106867561
1-(2-chloro-4-methylphenyl)-3-methylpentane-2,3-diol
CID 106867632
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
1-[2-(bromomethyl)-3-(4-chlorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870696
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol (CID 106870597) is 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol is CCC(CO)Cc1ccc(C)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol?
The InChIKey is RGBZLWCQVGWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-3-10(8-14)7-11-5-4-9(2)6-12(11)13/h4-6,10,14H,3,7-8H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol?
2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 106870597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).