(2S)-2-ethyl-4-phenylbut-3-en-1-ol

C12H16O — CID 71353215

IUPAC(2S)-2-ethyl-4-phenylbut-3-en-1-ol
SMILESCC[C@@H](C=Cc1ccccc1)CO
InChIInChI=1S/C12H16O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-9,11,13H,2,10H2,1H3/t11-/m0/s1
InChIKeyOLMFCZNVCJZEGE-NSHDSACASA-N
MW176.26 g/mol
LogP2.72
Rot. Bonds4

About (2S)-2-ethyl-4-phenylbut-3-en-1-ol

(2S)-2-ethyl-4-phenylbut-3-en-1-ol (PubChem CID 71353215) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S)-2-ethyl-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(2S)-2-ethyl-4-phenylbut-3-en-1-ol
PubChem CID71353215
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S)-2-ethyl-4-phenylbut-3-en-1-ol
SMILESCC[C@@H](C=Cc1ccccc1)CO
InChIInChI=1S/C12H16O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-9,11,13H,2,10H2,1H3/t11-/m0/s1
InChIKeyOLMFCZNVCJZEGE-NSHDSACASA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
2-[(E)-1-phenylpent-1-en-3-yl]phenol
CID 13258003
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286
3-(bromomethyl)hex-1-enylbenzene
CID 91228511
3-methoxypent-1-enylbenzene
CID 71364960
(E,3S)-3-(hydroxymethyl)-5-(4-methylphenyl)-1-phenylpent-4-en-1-one
CID 101476658
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
2-ethylhex-3-en-1-ol
CID 543244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-phenylbut-3-en-1-ol?
The IUPAC name of (2S)-2-ethyl-4-phenylbut-3-en-1-ol (CID 71353215) is (2S)-2-ethyl-4-phenylbut-3-en-1-ol.
What is the SMILES notation for (2S)-2-ethyl-4-phenylbut-3-en-1-ol?
The canonical SMILES for (2S)-2-ethyl-4-phenylbut-3-en-1-ol is CC[C@@H](C=Cc1ccccc1)CO.
What is the InChIKey of (2S)-2-ethyl-4-phenylbut-3-en-1-ol?
The InChIKey is OLMFCZNVCJZEGE-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-9,11,13H,2,10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-phenylbut-3-en-1-ol?
(2S)-2-ethyl-4-phenylbut-3-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 71353215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).