[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol

C13H18O — CID 130488853

IUPAC[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol
SMILESCc1cccc(C2C(CO)C2(C)C)c1
InChIInChI=1S/C13H18O/c1-9-5-4-6-10(7-9)12-11(8-14)13(12,2)3/h4-7,11-12,14H,8H2,1-3H3
InChIKeyMQEHRVVZBMRCPQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds2

About [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol

[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol (PubChem CID 130488853) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol
PubChem CID130488853
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol
SMILESCc1cccc(C2C(CO)C2(C)C)c1
InChIInChI=1S/C13H18O/c1-9-5-4-6-10(7-9)12-11(8-14)13(12,2)3/h4-7,11-12,14H,8H2,1-3H3
InChIKeyMQEHRVVZBMRCPQ-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol?
The IUPAC name of [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol (CID 130488853) is [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol?
The canonical SMILES for [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol is Cc1cccc(C2C(CO)C2(C)C)c1.
What is the InChIKey of [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol?
The InChIKey is MQEHRVVZBMRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-5-4-6-10(7-9)12-11(8-14)13(12,2)3/h4-7,11-12,14H,8H2,1-3H3.
What are the key properties of [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol?
[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol has a molecular weight of 190.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 130488853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).