1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol

C17H26O2 — CID 65313647

IUPAC1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C17H26O2/c1-13-12-14(19-4)6-7-15(13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12,18H,5,8-11H2,1-4H3
InChIKeyAQSJTDGXARCGEL-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.18
Rot. Bonds2

About 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol

1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 65313647) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol
PubChem CID65313647
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C17H26O2/c1-13-12-14(19-4)6-7-15(13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12,18H,5,8-11H2,1-4H3
InChIKeyAQSJTDGXARCGEL-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65313238
4-ethyl-1-(4-methoxy-2-methylphenyl)cyclohexan-1-ol
CID 65313174
1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085746
4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol
CID 65086146
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
3-(4-methoxy-2-methylphenyl)thiolan-3-ol
CID 79950374
1-(4-fluoro-2-methylphenyl)cyclobutan-1-ol
CID 79081119
3-(4-methoxy-2-methylphenyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171961352
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
2-(1-hydroxycyclopropyl)-4-methoxy-6-methylphenol
CID 117284601
1-(4-fluoro-2-methylphenyl)cyclohexan-1-ol
CID 62787600

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol (CID 65313647) is 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol is COc1ccc(C2(O)CCCC(C)(C)CC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is AQSJTDGXARCGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-12-14(19-4)6-7-15(13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12,18H,5,8-11H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 65313647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).