7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one

C25H21ClO2 — CID 46210278

IUPAC7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Oc1c(ccc3ccccc13)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H21ClO2/c1-25(2)13-20(27)23-21(14-25)28-24-18-6-4-3-5-15(18)9-12-19(24)22(23)16-7-10-17(26)11-8-16/h3-12,22H,13-14H2,1-2H3
InChIKeyDCLJRMBXDZHGRR-UHFFFAOYSA-N
MW388.89 g/mol
LogP6.66
Rot. Bonds1

About 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one

7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one (PubChem CID 46210278) has the molecular formula C25H21ClO2 and a molecular weight of 388.89 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
PubChem CID46210278
Molecular FormulaC25H21ClO2
Molecular Weight388.89 g/mol
Exact Mass388.12
IUPAC Name7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Oc1c(ccc3ccccc13)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H21ClO2/c1-25(2)13-20(27)23-21(14-25)28-24-18-6-4-3-5-15(18)9-12-19(24)22(23)16-7-10-17(26)11-8-16/h3-12,22H,13-14H2,1-2H3
InChIKeyDCLJRMBXDZHGRR-UHFFFAOYSA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.89
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,6,6-tetramethyl-9-[4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 12996042
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
ethyl (4S)-2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 985590
12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56839649
9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 42642778
(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 40523336
7-(4-aminophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 14171492
benzyl (4S)-2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 1005899
12-(2-hydroxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342720
9-(4-ethylphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 1049991
7-(4-methoxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 4261678
4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione
CID 3804778

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one?
The IUPAC name of 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one (CID 46210278) is 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one.
What is the SMILES notation for 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one?
The canonical SMILES for 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one is CC1(C)CC(=O)C2=C(C1)Oc1c(ccc3ccccc13)C2c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one?
The InChIKey is DCLJRMBXDZHGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClO2/c1-25(2)13-20(27)23-21(14-25)28-24-18-6-4-3-5-15(18)9-12-19(24)22(23)16-7-10-17(26)11-8-16/h3-12,22H,13-14H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one?
7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one has a molecular weight of 388.89 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one is sourced from PubChem (CID 46210278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).