1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol

C14H19ClO — CID 107559714

IUPAC1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCc1ccc(C2(O)CC(C(C)C)C2)cc1Cl
InChIInChI=1S/C14H19ClO/c1-9(2)11-7-14(16,8-11)12-5-4-10(3)13(15)6-12/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyQMDXKFKDQFHPQJ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.90
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol

1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 107559714) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID107559714
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCc1ccc(C2(O)CC(C(C)C)C2)cc1Cl
InChIInChI=1S/C14H19ClO/c1-9(2)11-7-14(16,8-11)12-5-4-10(3)13(15)6-12/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyQMDXKFKDQFHPQJ-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol (CID 107559714) is 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol is Cc1ccc(C2(O)CC(C(C)C)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is QMDXKFKDQFHPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-9(2)11-7-14(16,8-11)12-5-4-10(3)13(15)6-12/h4-6,9,11,16H,7-8H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol?
1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 238.76 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 107559714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).