10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one

C19H14O2S — CID 10638367

IUPAC10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one
SMILESCOc1ccc2cc3c(=O)sc4ccc(C)cc4c3cc2c1
InChIInChI=1S/C19H14O2S/c1-11-3-6-18-16(7-11)15-10-13-8-14(21-2)5-4-12(13)9-17(15)19(20)22-18/h3-10H,1-2H3
InChIKeyUDSQZWFCXOTHBW-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.88
Rot. Bonds1

About 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one

10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one (PubChem CID 10638367) has the molecular formula C19H14O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one.

Molecular Properties

Compound Name10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one
PubChem CID10638367
Molecular FormulaC19H14O2S
Molecular Weight306.39 g/mol
Exact Mass306.07
IUPAC Name10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one
SMILESCOc1ccc2cc3c(=O)sc4ccc(C)cc4c3cc2c1
InChIInChI=1S/C19H14O2S/c1-11-3-6-18-16(7-11)15-10-13-8-14(21-2)5-4-12(13)9-17(15)19(20)22-18/h3-10H,1-2H3
InChIKeyUDSQZWFCXOTHBW-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
3-methoxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 13159350
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526
7-methoxy-3-(7-methoxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 67007897
2-methoxy-7-methylnaphthalene;trifluoromethanesulfonic acid
CID 175579683
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
2-methoxy-6-[6-(6-methoxynaphthalen-2-yl)anthracen-2-yl]-3-(4-methylphenyl)-1-benzothiophene
CID 59012324
2,5-dimethoxy-1-benzothiophene
CID 69101358
6-methoxy-1-oxoisothiochromene-3-carboxylic acid
CID 21440743

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one?
The IUPAC name of 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one (CID 10638367) is 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one.
What is the SMILES notation for 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one?
The canonical SMILES for 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one is COc1ccc2cc3c(=O)sc4ccc(C)cc4c3cc2c1.
What is the InChIKey of 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one?
The InChIKey is UDSQZWFCXOTHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2S/c1-11-3-6-18-16(7-11)15-10-13-8-14(21-2)5-4-12(13)9-17(15)19(20)22-18/h3-10H,1-2H3.
What are the key properties of 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one?
10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one has a molecular weight of 306.39 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2-methylnaphtho[2,3-c]thiochromen-6-one is sourced from PubChem (CID 10638367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).