2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol

C17H26O2 — CID 63472880

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
SMILESCc1cc(OC2CCCCCC2O)ccc1C(C)C
InChIInChI=1S/C17H26O2/c1-12(2)15-10-9-14(11-13(15)3)19-17-8-6-4-5-7-16(17)18/h9-12,16-18H,4-8H2,1-3H3
InChIKeyWBXDYPMSLYEGKJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.19
Rot. Bonds3

About 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol

2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol (PubChem CID 63472880) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
PubChem CID63472880
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
SMILESCc1cc(OC2CCCCCC2O)ccc1C(C)C
InChIInChI=1S/C17H26O2/c1-12(2)15-10-9-14(11-13(15)3)19-17-8-6-4-5-7-16(17)18/h9-12,16-18H,4-8H2,1-3H3
InChIKeyWBXDYPMSLYEGKJ-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
CID 107720122
trans-(1S,2S)-2-(4-bromo-3-methylphenoxy)cyclohexan-1-ol
CID 102732682
4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 63472705
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618028
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3,4-dimethylphenoxy)cyclobutan-1-ol
CID 164664143
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 78947415
3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 64750920
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416
5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
CID 107684183
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol (CID 63472880) is 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol is Cc1cc(OC2CCCCCC2O)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol?
The InChIKey is WBXDYPMSLYEGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)15-10-9-14(11-13(15)3)19-17-8-6-4-5-7-16(17)18/h9-12,16-18H,4-8H2,1-3H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol?
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol is sourced from PubChem (CID 63472880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).