4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol

C18H26O2 — CID 10214721

IUPAC4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol
SMILESC/C=C(\C)C1(C)CCC(c2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C18H26O2/c1-5-13(2)18(3)10-8-14(9-11-18)15-6-7-16(19)17(12-15)20-4/h5-7,12,14,19H,8-11H2,1-4H3/b13-5+
InChIKeyNBXXORPOYIAGKW-WLRTZDKTSA-N
MW274.40 g/mol
LogP5.03
Rot. Bonds3

About 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol

4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol (PubChem CID 10214721) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol
PubChem CID10214721
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol
SMILESC/C=C(\C)C1(C)CCC(c2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C18H26O2/c1-5-13(2)18(3)10-8-14(9-11-18)15-6-7-16(19)17(12-15)20-4/h5-7,12,14,19H,8-11H2,1-4H3/b13-5+
InChIKeyNBXXORPOYIAGKW-WLRTZDKTSA-N
XLogP5.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol
CID 10236249
2-methoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21119678
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
2-methoxy-4-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)phenol
CID 676994
4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
CID 58785260
5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
CID 4019771
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 11429153
7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 22331027
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
4-[[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxyphenol
CID 146950417

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol?
The IUPAC name of 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol (CID 10214721) is 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol?
The canonical SMILES for 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol is C/C=C(\C)C1(C)CCC(c2ccc(O)c(OC)c2)CC1.
What is the InChIKey of 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol?
The InChIKey is NBXXORPOYIAGKW-WLRTZDKTSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-13(2)18(3)10-8-14(9-11-18)15-6-7-16(19)17(12-15)20-4/h5-7,12,14,19H,8-11H2,1-4H3/b13-5+.
What are the key properties of 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol?
4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol has a molecular weight of 274.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol is sourced from PubChem (CID 10214721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).