6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol

C17H24O3 — CID 162420333

IUPAC6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
SMILESCOc1ccc(COC2CC=CCC(O)C2(C)C)cc1
InChIInChI=1S/C17H24O3/c1-17(2)15(18)6-4-5-7-16(17)20-12-13-8-10-14(19-3)11-9-13/h4-5,8-11,15-16,18H,6-7,12H2,1-3H3
InChIKeySENZKVYTWNGEDX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.32
Rot. Bonds4

About 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol

6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol (PubChem CID 162420333) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
PubChem CID162420333
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
SMILESCOc1ccc(COC2CC=CCC(O)C2(C)C)cc1
InChIInChI=1S/C17H24O3/c1-17(2)15(18)6-4-5-7-16(17)20-12-13-8-10-14(19-3)11-9-13/h4-5,8-11,15-16,18H,6-7,12H2,1-3H3
InChIKeySENZKVYTWNGEDX-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
CID 66367851
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(1R,3S,7R,9R)-8-[(4-methoxyphenyl)methoxy]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 11646597
1-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]-4-methoxybenzene
CID 66345113
(2R,3S,5R,6S)-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,6-dimethyloxan-3-ol
CID 11305715
(1R,2R,3R,4'S,4aR,6S,8aR)-1-ethenyl-6-[(4-methoxyphenyl)methoxy]-5,5,8a-trimethyl-4'-(2-trimethylsilylethoxy)spiro[3,4,4a,6,7,8-hexahydronaphthalene-2,3'-cyclopentene]-1,3-diol
CID 15818326
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229
(1R,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 70442191
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol (CID 162420333) is 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol is COc1ccc(COC2CC=CCC(O)C2(C)C)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol?
The InChIKey is SENZKVYTWNGEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2)15(18)6-4-5-7-16(17)20-12-13-8-10-14(19-3)11-9-13/h4-5,8-11,15-16,18H,6-7,12H2,1-3H3.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol?
6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol has a molecular weight of 276.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol is sourced from PubChem (CID 162420333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).