(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol

C14H20O2 — CID 143867345

IUPAC(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol
SMILESCOc1ccc(C)cc1/C=C/C(C)(C)CO
InChIInChI=1S/C14H20O2/c1-11-5-6-13(16-4)12(9-11)7-8-14(2,3)10-15/h5-9,15H,10H2,1-4H3/b8-7+
InChIKeyVOAVAIAIYZBRRE-BQYQJAHWSA-N
MW220.31 g/mol
LogP3.04
Rot. Bonds4

About (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol

(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol (PubChem CID 143867345) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol
PubChem CID143867345
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol
SMILESCOc1ccc(C)cc1/C=C/C(C)(C)CO
InChIInChI=1S/C14H20O2/c1-11-5-6-13(16-4)12(9-11)7-8-14(2,3)10-15/h5-9,15H,10H2,1-4H3/b8-7+
InChIKeyVOAVAIAIYZBRRE-BQYQJAHWSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
CID 143867243
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 103946334
2-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]-2-methylbutanoic acid
CID 79790035
(4-tert-butyl-2-methylphenyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 7669445
ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
CID 143806665
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol?
The IUPAC name of (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol (CID 143867345) is (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol?
The canonical SMILES for (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol is COc1ccc(C)cc1/C=C/C(C)(C)CO.
What is the InChIKey of (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol?
The InChIKey is VOAVAIAIYZBRRE-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-5-6-13(16-4)12(9-11)7-8-14(2,3)10-15/h5-9,15H,10H2,1-4H3/b8-7+.
What are the key properties of (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol?
(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol is sourced from PubChem (CID 143867345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).