2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol

C17H26O2 — CID 79853464

IUPAC2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
SMILESCCCOc1ccc(C2(O)CCCCC2(C)C)cc1
InChIInChI=1S/C17H26O2/c1-4-13-19-15-9-7-14(8-10-15)17(18)12-6-5-11-16(17,2)3/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyMRDZRTORTHCPJE-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.26
Rot. Bonds4

About 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol

2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol (PubChem CID 79853464) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
PubChem CID79853464
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
SMILESCCCOc1ccc(C2(O)CCCCC2(C)C)cc1
InChIInChI=1S/C17H26O2/c1-4-13-19-15-9-7-14(8-10-15)17(18)12-6-5-11-16(17,2)3/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyMRDZRTORTHCPJE-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol (CID 79853464) is 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol is CCCOc1ccc(C2(O)CCCCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
The InChIKey is MRDZRTORTHCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-13-19-15-9-7-14(8-10-15)17(18)12-6-5-11-16(17,2)3/h7-10,18H,4-6,11-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 79853464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).