1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol

C16H24O3 — CID 82001479

IUPAC1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OC2CCC(C)CC2)c1
InChIInChI=1S/C16H24O3/c1-11-4-6-13(7-5-11)19-16-10-14(18-3)8-9-15(16)12(2)17/h8-13,17H,4-7H2,1-3H3
InChIKeyLDAUZXHCQRPMDC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.71
Rot. Bonds4

About 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol

1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol (PubChem CID 82001479) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol
PubChem CID82001479
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OC2CCC(C)CC2)c1
InChIInChI=1S/C16H24O3/c1-11-4-6-13(7-5-11)19-16-10-14(18-3)8-9-15(16)12(2)17/h8-13,17H,4-7H2,1-3H3
InChIKeyLDAUZXHCQRPMDC-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 82001110
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol?
The IUPAC name of 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol (CID 82001479) is 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol is COc1ccc(C(C)O)c(OC2CCC(C)CC2)c1.
What is the InChIKey of 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol?
The InChIKey is LDAUZXHCQRPMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-4-6-13(7-5-11)19-16-10-14(18-3)8-9-15(16)12(2)17/h8-13,17H,4-7H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol?
1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 82001479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).