(1S)-1-(3-methylphenyl)but-3-en-1-ol

C11H14O — CID 15936639

IUPAC(1S)-1-(3-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@H](O)c1cccc(C)c1
InChIInChI=1S/C11H14O/c1-3-5-11(12)10-7-4-6-9(2)8-10/h3-4,6-8,11-12H,1,5H2,2H3/t11-/m0/s1
InChIKeyLUJZDTFPEDVIGN-NSHDSACASA-N
MW162.23 g/mol
LogP2.60
Rot. Bonds3

About (1S)-1-(3-methylphenyl)but-3-en-1-ol

(1S)-1-(3-methylphenyl)but-3-en-1-ol (PubChem CID 15936639) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1S)-1-(3-methylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1S)-1-(3-methylphenyl)but-3-en-1-ol
PubChem CID15936639
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1S)-1-(3-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@H](O)c1cccc(C)c1
InChIInChI=1S/C11H14O/c1-3-5-11(12)10-7-4-6-9(2)8-10/h3-4,6-8,11-12H,1,5H2,2H3/t11-/m0/s1
InChIKeyLUJZDTFPEDVIGN-NSHDSACASA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(difluoromethyl)phenyl]but-3-en-1-ol
CID 115527625
(1R)-1-(3-sulfanylphenyl)but-3-en-1-ol
CID 130662620
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
1-(4-chloro-3-methylphenyl)but-3-en-1-ol
CID 2757692
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol
CID 165439998
1-amino-1-(3-methylphenyl)but-3-en-2-ol
CID 130062679
1-(3-methylphenyl)decan-1-ol
CID 63411280

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylphenyl)but-3-en-1-ol?
The IUPAC name of (1S)-1-(3-methylphenyl)but-3-en-1-ol (CID 15936639) is (1S)-1-(3-methylphenyl)but-3-en-1-ol.
What is the SMILES notation for (1S)-1-(3-methylphenyl)but-3-en-1-ol?
The canonical SMILES for (1S)-1-(3-methylphenyl)but-3-en-1-ol is C=CC[C@H](O)c1cccc(C)c1.
What is the InChIKey of (1S)-1-(3-methylphenyl)but-3-en-1-ol?
The InChIKey is LUJZDTFPEDVIGN-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O/c1-3-5-11(12)10-7-4-6-9(2)8-10/h3-4,6-8,11-12H,1,5H2,2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-methylphenyl)but-3-en-1-ol?
(1S)-1-(3-methylphenyl)but-3-en-1-ol has a molecular weight of 162.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylphenyl)but-3-en-1-ol is sourced from PubChem (CID 15936639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).