4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol

C23H38O2 — CID 163986813

IUPAC4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol
SMILESCOC1CCC(O)(c2ccc(C(CC(C)(C)C)C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H38O2/c1-21(2,3)16-20(22(4,5)6)17-8-10-18(11-9-17)23(24)14-12-19(25-7)13-15-23/h8-11,19-20,24H,12-16H2,1-7H3
InChIKeyTXBFDGOFXMRSJV-UHFFFAOYSA-N
MW346.56 g/mol
LogP6.03
Rot. Bonds4

About 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol

4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol (PubChem CID 163986813) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol
PubChem CID163986813
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol
SMILESCOC1CCC(O)(c2ccc(C(CC(C)(C)C)C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H38O2/c1-21(2,3)16-20(22(4,5)6)17-8-10-18(11-9-17)23(24)14-12-19(25-7)13-15-23/h8-11,19-20,24H,12-16H2,1-7H3
InChIKeyTXBFDGOFXMRSJV-UHFFFAOYSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]-(1-tricyclo[4.3.1.13,8]undecanyl)methanol
CID 123635954
1-[4-(3,3-dimethylbutan-2-yl)phenyl]cyclohexane-1,4-diol
CID 134285685
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542858
1-[cyclohexyloxy-(1-ethylcyclohexyl)methoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123863336
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol
CID 84780194

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol (CID 163986813) is 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol is COC1CCC(O)(c2ccc(C(CC(C)(C)C)C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol?
The InChIKey is TXBFDGOFXMRSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2/c1-21(2,3)16-20(22(4,5)6)17-8-10-18(11-9-17)23(24)14-12-19(25-7)13-15-23/h8-11,19-20,24H,12-16H2,1-7H3.
What are the key properties of 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol?
4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol has a molecular weight of 346.56 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 163986813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).