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

C18H26O2 — CID 106650925

IUPAC[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-2-14-20-17-12-10-16(11-13-17)18(19)15-8-6-4-3-5-7-9-15/h8,10-13,18-19H,2-7,9,14H2,1H3/b15-8+
InChIKeyMTLXEWWWXJDZBQ-OVCLIPMQSA-N
MW274.40 g/mol
LogP4.79
Rot. Bonds5

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

[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol (PubChem CID 106650925) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol
PubChem CID106650925
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-2-14-20-17-12-10-16(11-13-17)18(19)15-8-6-4-3-5-7-9-15/h8,10-13,18-19H,2-7,9,14H2,1H3/b15-8+
InChIKeyMTLXEWWWXJDZBQ-OVCLIPMQSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.79
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-butoxyphenyl)-(cyclohepten-1-yl)methanol
CID 106657772
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
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[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
CID 106651347
[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol
CID 106650934
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
1-(cyclohepten-1-yl)-2-propoxyethanamine
CID 106652723
bis(4-octoxyphenyl)methanol
CID 139262063
1-[1-(cyclohexen-1-yl)-3-propylheptan-2-yl]-4-propoxybenzene
CID 57214892
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol (CID 106650925) is [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)/C2=C/CCCCCC2)cc1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol?
The InChIKey is MTLXEWWWXJDZBQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-14-20-17-12-10-16(11-13-17)18(19)15-8-6-4-3-5-7-9-15/h8,10-13,18-19H,2-7,9,14H2,1H3/b15-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol?
[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol has a molecular weight of 274.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol is sourced from PubChem (CID 106650925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).