(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol

C14H20O — CID 89151080

IUPAC(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol
SMILESCCc1cccc(/C=C/C(C)(C)CO)c1
InChIInChI=1S/C14H20O/c1-4-12-6-5-7-13(10-12)8-9-14(2,3)11-15/h5-10,15H,4,11H2,1-3H3/b9-8+
InChIKeyBEMDNIZJXBLVCJ-CMDGGOBGSA-N
MW204.31 g/mol
LogP3.28
Rot. Bonds4

About (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol

(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol (PubChem CID 89151080) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol
PubChem CID89151080
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol
SMILESCCc1cccc(/C=C/C(C)(C)CO)c1
InChIInChI=1S/C14H20O/c1-4-12-6-5-7-13(10-12)8-9-14(2,3)11-15/h5-10,15H,4,11H2,1-3H3/b9-8+
InChIKeyBEMDNIZJXBLVCJ-CMDGGOBGSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-ethylphenyl)but-3-en-2-one
CID 174630959
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate
CID 153320452
(E,2R)-5-(3-ethylphenyl)-2-methylpent-4-en-1-ol
CID 89151077
(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
CID 89151097
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid
CID 22003641
ethane;(3-ethylphenyl)methanimine
CID 142246285
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
N-[[3-[(E)-3,3-dimethylbut-1-enyl]phenyl]methyl]propanamide
CID 72880913
(3-prop-1-enylphenyl)methanol
CID 73411411
methyl (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoate
CID 127264099

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol?
The IUPAC name of (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol (CID 89151080) is (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol?
The canonical SMILES for (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol is CCc1cccc(/C=C/C(C)(C)CO)c1.
What is the InChIKey of (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol?
The InChIKey is BEMDNIZJXBLVCJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H20O/c1-4-12-6-5-7-13(10-12)8-9-14(2,3)11-15/h5-10,15H,4,11H2,1-3H3/b9-8+.
What are the key properties of (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol?
(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol is sourced from PubChem (CID 89151080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).