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

Name: 4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₆O₂ — CID 141193162

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol
PubChem CID	141193162
Molecular Formula	C₁₉H₂₆O₂
Molecular Weight	286.41 g/mol
Exact Mass	286.19
IUPAC Name	4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol
SMILES	CC1(C)CC=C(c2cccc(C3(O)CCOCC3)c2)CC1
InChI	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
InChIKey	AIIKXKBIZMKPHZ-UHFFFAOYSA-N
XLogP	4.28
TPSA	29.46 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.41
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 141193162 — identifiers, structure, computed properties (public domain)

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