1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one

C35H34O2 — CID 174467637

IUPAC1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1c(-c2cc(O)c3c4c(ccc3c2)C2=C(CC(C)(C)C=C2)CC4(C)C)ccc2ccccc12
InChIInChI=1S/C35H34O2/c1-6-29(36)32-26-10-8-7-9-21(26)11-13-27(32)23-17-22-12-14-28-25-15-16-34(2,3)19-24(25)20-35(4,5)33(28)31(22)30(37)18-23/h7-18,37H,6,19-20H2,1-5H3
InChIKeyZBGWMYNUUGGGSP-UHFFFAOYSA-N
MW486.66 g/mol
LogP9.38
Rot. Bonds3

About 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one

1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one (PubChem CID 174467637) has the molecular formula C35H34O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one
PubChem CID174467637
Molecular FormulaC35H34O2
Molecular Weight486.66 g/mol
Exact Mass486.26
IUPAC Name1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1c(-c2cc(O)c3c4c(ccc3c2)C2=C(CC(C)(C)C=C2)CC4(C)C)ccc2ccccc12
InChIInChI=1S/C35H34O2/c1-6-29(36)32-26-10-8-7-9-21(26)11-13-27(32)23-17-22-12-14-28-25-15-16-34(2,3)19-24(25)20-35(4,5)33(28)31(22)30(37)18-23/h7-18,37H,6,19-20H2,1-5H3
InChIKeyZBGWMYNUUGGGSP-UHFFFAOYSA-N
XLogP9.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 59.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one with MolForge

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Related Compounds

naphthalene-2-carboxylic acid;2,2,9,11,11-pentamethyl-1,12-dihydrochrysene
CID 174264092
4-[3-[2-[4-[2-(4-fluorophenyl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl]naphthalen-1-yl]-3-hydroxyprop-1-enyl]benzoic acid
CID 175243422
4-[3-[2-[4-[[4-(dimethylamino)benzoyl]-methylamino]-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl]naphthalen-1-yl]-3-hydroxyprop-1-enyl]benzoic acid
CID 174467644
5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine
CID 174609917
5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol
CID 170991368
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
CID 139946423
ethyl 4-oxo-4-(2-phenylnaphthalen-1-yl)butanoate
CID 71614454
1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol
CID 56958688
phenanthrene-2,4-diol
CID 640647
naphthalen-1-ol;propanoic acid
CID 19792721
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one?
The IUPAC name of 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one (CID 174467637) is 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one is CCC(=O)c1c(-c2cc(O)c3c4c(ccc3c2)C2=C(CC(C)(C)C=C2)CC4(C)C)ccc2ccccc12.
What is the InChIKey of 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one?
The InChIKey is ZBGWMYNUUGGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O2/c1-6-29(36)32-26-10-8-7-9-21(26)11-13-27(32)23-17-22-12-14-28-25-15-16-34(2,3)19-24(25)20-35(4,5)33(28)31(22)30(37)18-23/h7-18,37H,6,19-20H2,1-5H3.
What are the key properties of 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one?
1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one has a molecular weight of 486.66 g/mol, XLogP of 9.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxy-5,5,8,8-tetramethyl-6,7-dihydrochrysen-2-yl)naphthalen-1-yl]propan-1-one is sourced from PubChem (CID 174467637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).