[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol

C16H22O — CID 106651010

IUPAC[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C16H22O/c1-13-9-11-15(12-10-13)16(17)14-7-5-3-2-4-6-8-14/h7,9-12,16-17H,2-6,8H2,1H3/b14-7+
InChIKeyVYAIPJYRSLVXQE-VGOFMYFVSA-N
MW230.35 g/mol
LogP4.31
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol

[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol (PubChem CID 106651010) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
PubChem CID106651010
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C16H22O/c1-13-9-11-15(12-10-13)16(17)14-7-5-3-2-4-6-8-14/h7,9-12,16-17H,2-6,8H2,1H3/b14-7+
InChIKeyVYAIPJYRSLVXQE-VGOFMYFVSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.31
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-(2-methylpropyl)phenyl]methanol
CID 106651347
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
(4-butoxyphenyl)-(cyclohepten-1-yl)methanol
CID 106657772
[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol
CID 106650925
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 106657893
cyclopenten-1-yl(phenyl)methanol
CID 62079270
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol (CID 106651010) is [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol is Cc1ccc(C(O)/C2=C/CCCCCC2)cc1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol?
The InChIKey is VYAIPJYRSLVXQE-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H22O/c1-13-9-11-15(12-10-13)16(17)14-7-5-3-2-4-6-8-14/h7,9-12,16-17H,2-6,8H2,1H3/b14-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol?
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol has a molecular weight of 230.35 g/mol, XLogP of 4.31, 2 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-methylphenyl)methanol is sourced from PubChem (CID 106651010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).