2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol

C18H24O2 — CID 87513439

IUPAC2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol
SMILESCCCCCCC1(c2ccccc2O)C=CC=CC1O
InChIInChI=1S/C18H24O2/c1-2-3-4-8-13-18(14-9-7-12-17(18)20)15-10-5-6-11-16(15)19/h5-7,9-12,14,17,19-20H,2-4,8,13H2,1H3
InChIKeyDIXFSVAFYUIXAC-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.09
Rot. Bonds6

About 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol

2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol (PubChem CID 87513439) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol
PubChem CID87513439
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol
SMILESCCCCCCC1(c2ccccc2O)C=CC=CC1O
InChIInChI=1S/C18H24O2/c1-2-3-4-8-13-18(14-9-7-12-17(18)20)15-10-5-6-11-16(15)19/h5-7,9-12,14,17,19-20H,2-4,8,13H2,1H3
InChIKeyDIXFSVAFYUIXAC-UHFFFAOYSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol?
The IUPAC name of 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol (CID 87513439) is 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol.
What is the SMILES notation for 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol?
The canonical SMILES for 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol is CCCCCCC1(c2ccccc2O)C=CC=CC1O.
What is the InChIKey of 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol?
The InChIKey is DIXFSVAFYUIXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-3-4-8-13-18(14-9-7-12-17(18)20)15-10-5-6-11-16(15)19/h5-7,9-12,14,17,19-20H,2-4,8,13H2,1H3.
What are the key properties of 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol?
2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol has a molecular weight of 272.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexyl-6-hydroxycyclohexa-2,4-dien-1-yl)phenol is sourced from PubChem (CID 87513439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).