4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol

C19H26O2 — CID 141193162

IUPAC4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol
SMILESCC1(C)CC=C(c2cccc(C3(O)CCOCC3)c2)CC1
InChIInChI=1S/C19H26O2/c1-18(2)8-6-15(7-9-18)16-4-3-5-17(14-16)19(20)10-12-21-13-11-19/h3-6,14,20H,7-13H2,1-2H3
InChIKeyAIIKXKBIZMKPHZ-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.28
Rot. Bonds2

About 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol

4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol (PubChem CID 141193162) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol
PubChem CID141193162
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol
SMILESCC1(C)CC=C(c2cccc(C3(O)CCOCC3)c2)CC1
InChIInChI=1S/C19H26O2/c1-18(2)8-6-15(7-9-18)16-4-3-5-17(14-16)19(20)10-12-21-13-11-19/h3-6,14,20H,7-13H2,1-2H3
InChIKeyAIIKXKBIZMKPHZ-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol?
The IUPAC name of 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol (CID 141193162) is 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol.
What is the SMILES notation for 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol?
The canonical SMILES for 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol is CC1(C)CC=C(c2cccc(C3(O)CCOCC3)c2)CC1.
What is the InChIKey of 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol?
The InChIKey is AIIKXKBIZMKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-18(2)8-6-15(7-9-18)16-4-3-5-17(14-16)19(20)10-12-21-13-11-19/h3-6,14,20H,7-13H2,1-2H3.
What are the key properties of 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol?
4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol has a molecular weight of 286.41 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol is sourced from PubChem (CID 141193162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).