3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one

C12H14O2 — CID 70453618

IUPAC3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2=CC=C(O)CC2)CCC1
InChIInChI=1S/C12H14O2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4,6,8,13H,1-3,5,7H2
InChIKeyGMBCMHHAXAHBLD-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.83
Rot. Bonds1

About 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one

3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one (PubChem CID 70453618) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one
PubChem CID70453618
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2=CC=C(O)CC2)CCC1
InChIInChI=1S/C12H14O2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4,6,8,13H,1-3,5,7H2
InChIKeyGMBCMHHAXAHBLD-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one (CID 70453618) is 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one is O=C1C=C(C2=CC=C(O)CC2)CCC1.
What is the InChIKey of 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one?
The InChIKey is GMBCMHHAXAHBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4,6,8,13H,1-3,5,7H2.
What are the key properties of 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one?
3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 70453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).