1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol

C18H20O — CID 174845761

IUPAC1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol
SMILESCCC(O)=C(c1ccccc1)c1ccccc1CC
InChIInChI=1S/C18H20O/c1-3-14-10-8-9-13-16(14)18(17(19)4-2)15-11-6-5-7-12-15/h5-13,19H,3-4H2,1-2H3
InChIKeyOIHOJDIPBCOOMA-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.98
Rot. Bonds4

About 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol

1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol (PubChem CID 174845761) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol.

Molecular Properties

Compound Name1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol
PubChem CID174845761
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol
SMILESCCC(O)=C(c1ccccc1)c1ccccc1CC
InChIInChI=1S/C18H20O/c1-3-14-10-8-9-13-16(14)18(17(19)4-2)15-11-6-5-7-12-15/h5-13,19H,3-4H2,1-2H3
InChIKeyOIHOJDIPBCOOMA-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
CID 174739089
CID 174739089
2-ethylbenzoic acid;tungsten
CID 23518478
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
diphenylmethanone;(2-ethylbenzoyl)phosphonic acid
CID 175203276
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
bis(2-ethylbenzoate);lead(2+)
CID 101297382
barium(2+);bis(2-ethylbenzoate)
CID 101299927

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol?
The IUPAC name of 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol (CID 174845761) is 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol.
What is the SMILES notation for 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol?
The canonical SMILES for 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol is CCC(O)=C(c1ccccc1)c1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol?
The InChIKey is OIHOJDIPBCOOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-14-10-8-9-13-16(14)18(17(19)4-2)15-11-6-5-7-12-15/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol?
1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol has a molecular weight of 252.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol is sourced from PubChem (CID 174845761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).