(2S)-2-(3-cyclopropylphenyl)propan-1-ol

C12H16O — CID 129077577

IUPAC(2S)-2-(3-cyclopropylphenyl)propan-1-ol
SMILESC[C@H](CO)c1cccc(C2CC2)c1
InChIInChI=1S/C12H16O/c1-9(8-13)11-3-2-4-12(7-11)10-5-6-10/h2-4,7,9-10,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyYFEDNDBMOGXGPO-SECBINFHSA-N
MW176.26 g/mol
LogP2.66
Rot. Bonds3

About (2S)-2-(3-cyclopropylphenyl)propan-1-ol

(2S)-2-(3-cyclopropylphenyl)propan-1-ol (PubChem CID 129077577) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S)-2-(3-cyclopropylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-cyclopropylphenyl)propan-1-ol
PubChem CID129077577
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S)-2-(3-cyclopropylphenyl)propan-1-ol
SMILESC[C@H](CO)c1cccc(C2CC2)c1
InChIInChI=1S/C12H16O/c1-9(8-13)11-3-2-4-12(7-11)10-5-6-10/h2-4,7,9-10,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyYFEDNDBMOGXGPO-SECBINFHSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
CID 116988907
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
2-(3-methylphenyl)propan-1-ol
CID 21478686
3-(3-piperidin-4-ylphenyl)butan-1-amine
CID 117336960
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
CID 117358013
3-(3-piperidin-4-ylphenyl)butanal
CID 117334938
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol
CID 118356232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyclopropylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-(3-cyclopropylphenyl)propan-1-ol (CID 129077577) is (2S)-2-(3-cyclopropylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(3-cyclopropylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(3-cyclopropylphenyl)propan-1-ol is C[C@H](CO)c1cccc(C2CC2)c1.
What is the InChIKey of (2S)-2-(3-cyclopropylphenyl)propan-1-ol?
The InChIKey is YFEDNDBMOGXGPO-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O/c1-9(8-13)11-3-2-4-12(7-11)10-5-6-10/h2-4,7,9-10,13H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-(3-cyclopropylphenyl)propan-1-ol?
(2S)-2-(3-cyclopropylphenyl)propan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyclopropylphenyl)propan-1-ol is sourced from PubChem (CID 129077577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).