2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone

C14H20O2 — CID 67611825

IUPAC2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESO=C(CC1CCCCC1)C1(O)C=CC=CC1
InChIInChI=1S/C14H20O2/c15-13(11-12-7-3-1-4-8-12)14(16)9-5-2-6-10-14/h2,5-6,9,12,16H,1,3-4,7-8,10-11H2
InChIKeyFQXJYAXFKRIMPG-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.77
Rot. Bonds3

About 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone

2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 67611825) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID67611825
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESO=C(CC1CCCCC1)C1(O)C=CC=CC1
InChIInChI=1S/C14H20O2/c15-13(11-12-7-3-1-4-8-12)14(16)9-5-2-6-10-14/h2,5-6,9,12,16H,1,3-4,7-8,10-11H2
InChIKeyFQXJYAXFKRIMPG-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone (CID 67611825) is 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone is O=C(CC1CCCCC1)C1(O)C=CC=CC1.
What is the InChIKey of 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is FQXJYAXFKRIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-13(11-12-7-3-1-4-8-12)14(16)9-5-2-6-10-14/h2,5-6,9,12,16H,1,3-4,7-8,10-11H2.
What are the key properties of 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 220.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 67611825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).