(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone

C27H28O4 — CID 155168101

IUPAC(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H12O2.C13H16O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1-10,13,15H;1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyALZXVHHHWWJCPV-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.17
Rot. Bonds5

About (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone

(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone (PubChem CID 155168101) has the molecular formula C27H28O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone
PubChem CID155168101
Molecular FormulaC27H28O4
Molecular Weight416.52 g/mol
Exact Mass416.20
IUPAC Name(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H12O2.C13H16O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1-10,13,15H;1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyALZXVHHHWWJCPV-UHFFFAOYSA-N
XLogP5.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
2-hydroxy-1,2-diphenylethanone
CID 159399559
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 141100005
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
CID 87963505
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone?
The IUPAC name of (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone (CID 155168101) is (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone is O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone?
The InChIKey is ALZXVHHHWWJCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C13H16O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1-10,13,15H;1,3-4,7-8,15H,2,5-6,9-10H2.
What are the key properties of (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone?
(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone has a molecular weight of 416.52 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 155168101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).