1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol

C11H12Cl2O — CID 130555024

IUPAC1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol
SMILESCC1CCC1(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O/c1-7-4-5-11(7,14)8-2-3-9(12)10(13)6-8/h2-3,6-7,14H,4-5H2,1H3
InChIKeyWKVICAWXBCTTOC-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.61
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol

1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol (PubChem CID 130555024) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol
PubChem CID130555024
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol
SMILESCC1CCC1(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O/c1-7-4-5-11(7,14)8-2-3-9(12)10(13)6-8/h2-3,6-7,14H,4-5H2,1H3
InChIKeyWKVICAWXBCTTOC-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755423
1-(3,4-dichlorophenyl)-2-methylcyclobutane-1-carbonitrile
CID 66430332
2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;cis-(1S,2S)-2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;cis-(1R,2R)-2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;methane
CID 159871418
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424142
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693
[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;dihydrochloride
CID 161074997
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine;1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine
CID 158997057
1-(3,4-dichlorophenyl)-4-hydroxy-4-methylcyclohexane-1-carbaldehyde
CID 134167029
2-methyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 65049664
1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N,N-dimethylmethanamine
CID 58954957
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66424340

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol (CID 130555024) is 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol is CC1CCC1(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol?
The InChIKey is WKVICAWXBCTTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-7-4-5-11(7,14)8-2-3-9(12)10(13)6-8/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol?
1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol has a molecular weight of 231.12 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol is sourced from PubChem (CID 130555024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).