3-cyclopropyl-3-phenylpropan-1-ol

C12H16O — CID 19754835

IUPAC3-cyclopropyl-3-phenylpropan-1-ol
SMILESOCCC(c1ccccc1)C1CC1
InChIInChI=1S/C12H16O/c13-9-8-12(11-6-7-11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyPSBWUPCMLCCZQW-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.56
Rot. Bonds4

About 3-cyclopropyl-3-phenylpropan-1-ol

3-cyclopropyl-3-phenylpropan-1-ol (PubChem CID 19754835) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-phenylpropan-1-ol
PubChem CID19754835
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-cyclopropyl-3-phenylpropan-1-ol
SMILESOCCC(c1ccccc1)C1CC1
InChIInChI=1S/C12H16O/c13-9-8-12(11-6-7-11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyPSBWUPCMLCCZQW-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
4-(1-cyclobutyl-3-hydroxypropyl)phenol
CID 115024794
3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 112508227
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
1-cyclobutylpentylbenzene
CID 90897767
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
1-phenylpropane-1,3-diol
CID 572059
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-phenylpropan-1-ol?
The IUPAC name of 3-cyclopropyl-3-phenylpropan-1-ol (CID 19754835) is 3-cyclopropyl-3-phenylpropan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-phenylpropan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-phenylpropan-1-ol is OCCC(c1ccccc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-phenylpropan-1-ol?
The InChIKey is PSBWUPCMLCCZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-9-8-12(11-6-7-11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2.
What are the key properties of 3-cyclopropyl-3-phenylpropan-1-ol?
3-cyclopropyl-3-phenylpropan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-phenylpropan-1-ol is sourced from PubChem (CID 19754835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).