4-(3,4-diethoxyphenyl)cyclohexan-1-ol

C16H24O3 — CID 116989261

IUPAC4-(3,4-diethoxyphenyl)cyclohexan-1-ol
SMILESCCOc1ccc(C2CCC(O)CC2)cc1OCC
InChIInChI=1S/C16H24O3/c1-3-18-15-10-7-13(11-16(15)19-4-2)12-5-8-14(17)9-6-12/h7,10-12,14,17H,3-6,8-9H2,1-2H3
InChIKeyQDURQANQQOJDSW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.50
Rot. Bonds5

About 4-(3,4-diethoxyphenyl)cyclohexan-1-ol

4-(3,4-diethoxyphenyl)cyclohexan-1-ol (PubChem CID 116989261) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)cyclohexan-1-ol
PubChem CID116989261
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name4-(3,4-diethoxyphenyl)cyclohexan-1-ol
SMILESCCOc1ccc(C2CCC(O)CC2)cc1OCC
InChIInChI=1S/C16H24O3/c1-3-18-15-10-7-13(11-16(15)19-4-2)12-5-8-14(17)9-6-12/h7,10-12,14,17H,3-6,8-9H2,1-2H3
InChIKeyQDURQANQQOJDSW-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-ethoxybenzoyl chloride
CID 86612889
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
3-(3,4-diethoxyphenyl)-5-methylpiperidine
CID 115375240
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
CID 64908099
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
CID 81011540

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(3,4-diethoxyphenyl)cyclohexan-1-ol (CID 116989261) is 4-(3,4-diethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,4-diethoxyphenyl)cyclohexan-1-ol is CCOc1ccc(C2CCC(O)CC2)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)cyclohexan-1-ol?
The InChIKey is QDURQANQQOJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-18-15-10-7-13(11-16(15)19-4-2)12-5-8-14(17)9-6-12/h7,10-12,14,17H,3-6,8-9H2,1-2H3.
What are the key properties of 4-(3,4-diethoxyphenyl)cyclohexan-1-ol?
4-(3,4-diethoxyphenyl)cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 116989261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).