[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol

C19H28O — CID 106651347

IUPAC[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C19H28O/c1-15(2)14-16-10-12-18(13-11-16)19(20)17-8-6-4-3-5-7-9-17/h8,10-13,15,19-20H,3-7,9,14H2,1-2H3/b17-8+
InChIKeyROCBBZAVZPGQCT-CAOOACKPSA-N
MW272.43 g/mol
LogP5.20
Rot. Bonds4

About [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol

[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 106651347) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
PubChem CID106651347
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C19H28O/c1-15(2)14-16-10-12-18(13-11-16)19(20)17-8-6-4-3-5-7-9-17/h8,10-13,15,19-20H,3-7,9,14H2,1-2H3/b17-8+
InChIKeyROCBBZAVZPGQCT-CAOOACKPSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
(4-butoxyphenyl)-(cyclohepten-1-yl)methanol
CID 106657772
cyclopenten-1-yl(phenyl)methanol
CID 62079270
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol
CID 106650934
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
CID 106651682
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol (CID 106651347) is [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(C(O)/C2=C/CCCCCC2)cc1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is ROCBBZAVZPGQCT-CAOOACKPSA-N. The full InChI is InChI=1S/C19H28O/c1-15(2)14-16-10-12-18(13-11-16)19(20)17-8-6-4-3-5-7-9-17/h8,10-13,15,19-20H,3-7,9,14H2,1-2H3/b17-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol?
[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 272.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 106651347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).