(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone

C19H22O2 — CID 160596200

IUPAC(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CC=CC1(O)C1CCCCC1
InChIInChI=1S/C19H22O2/c20-18(15-9-3-1-4-10-15)17-13-7-8-14-19(17,21)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16-17,21H,2,5-6,11-12H2
InChIKeyRDQXSEDUSMYIAY-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.92
Rot. Bonds3

About (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone

(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone (PubChem CID 160596200) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone
PubChem CID160596200
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CC=CC1(O)C1CCCCC1
InChIInChI=1S/C19H22O2/c20-18(15-9-3-1-4-10-15)17-13-7-8-14-19(17,21)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16-17,21H,2,5-6,11-12H2
InChIKeyRDQXSEDUSMYIAY-UHFFFAOYSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 154355270
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
6-benzoyl-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 159234773
(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 22395583
(6-benzoyl-1-hydroxycyclohexa-2,4-dien-1-yl) prop-2-enoate
CID 172708153
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
[(1S,2S,3R)-2-cyclohexyl-3-methylcyclopropyl]-phenylmethanone
CID 131860529
2-benzoylcyclotridecan-1-one
CID 101422484
phenyl(piperidin-2-yl)methanone
CID 19772085
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane
CID 159892140

Frequently Asked Questions

What is the IUPAC name of (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The IUPAC name of (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone (CID 160596200) is (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The canonical SMILES for (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone is O=C(c1ccccc1)C1C=CC=CC1(O)C1CCCCC1.
What is the InChIKey of (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The InChIKey is RDQXSEDUSMYIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c20-18(15-9-3-1-4-10-15)17-13-7-8-14-19(17,21)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16-17,21H,2,5-6,11-12H2.
What are the key properties of (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone has a molecular weight of 282.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 160596200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).