(1-benzylcyclopropyl)methanediol

C11H14O2 — CID 145135288

IUPAC(1-benzylcyclopropyl)methanediol
SMILESOC(O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C11H14O2/c12-10(13)11(6-7-11)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChIKeyJHCCRCQUMGYTQU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.32
Rot. Bonds3

About (1-benzylcyclopropyl)methanediol

(1-benzylcyclopropyl)methanediol (PubChem CID 145135288) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1-benzylcyclopropyl)methanediol.

Molecular Properties

Compound Name(1-benzylcyclopropyl)methanediol
PubChem CID145135288
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1-benzylcyclopropyl)methanediol
SMILESOC(O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C11H14O2/c12-10(13)11(6-7-11)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChIKeyJHCCRCQUMGYTQU-UHFFFAOYSA-N
XLogP1.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzylcyclopropyl)-N-ethylethanamine
CID 106797823
1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol
CID 106798205
1-benzylcyclopropane-1-carboxylic acid
CID 562561
benzyl 2-[1-(dihydroxymethyl)cyclopentyl]acetate
CID 123352150
1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol
CID 106798247
1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
CID 69235710
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one
CID 101174342
S-(1-benzylcyclopropyl)thiohydroxylamine
CID 142895053
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclopropyl)methanediol?
The IUPAC name of (1-benzylcyclopropyl)methanediol (CID 145135288) is (1-benzylcyclopropyl)methanediol.
What is the SMILES notation for (1-benzylcyclopropyl)methanediol?
The canonical SMILES for (1-benzylcyclopropyl)methanediol is OC(O)C1(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylcyclopropyl)methanediol?
The InChIKey is JHCCRCQUMGYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10(13)11(6-7-11)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2.
What are the key properties of (1-benzylcyclopropyl)methanediol?
(1-benzylcyclopropyl)methanediol has a molecular weight of 178.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclopropyl)methanediol is sourced from PubChem (CID 145135288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).