3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol

C19H17NOS — CID 70527623

IUPAC3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol
SMILESCSC1c2cccc(O)c2NC1c1cccc2ccccc12
InChIInChI=1S/C19H17NOS/c1-22-19-15-10-5-11-16(21)17(15)20-18(19)14-9-4-7-12-6-2-3-8-13(12)14/h2-11,18-21H,1H3
InChIKeyVMEBIVVXQQRZRR-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.12
Rot. Bonds2

About 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol

3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol (PubChem CID 70527623) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol
PubChem CID70527623
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol
SMILESCSC1c2cccc(O)c2NC1c1cccc2ccccc12
InChIInChI=1S/C19H17NOS/c1-22-19-15-10-5-11-16(21)17(15)20-18(19)14-9-4-7-12-6-2-3-8-13(12)14/h2-11,18-21H,1H3
InChIKeyVMEBIVVXQQRZRR-UHFFFAOYSA-N
XLogP5.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-naphthalen-1-ylazetidin-3-ol
CID 124638979
4-naphthalen-1-yl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
CID 17239207
(4aR,8aR)-2,3-dinaphthalen-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 11303938
(3aR,4R,9bS)-6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 11900891
2-[(13R,14R)-14-(2-hydroxyphenyl)-12,15-diazapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl]phenol
CID 176729924
6,8-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239190
N-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239287
methyl 4-(2-hydroxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylate
CID 17243343
(4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone
CID 17239257
methyl (3aS,4S,9bR)-6-chloro-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylate
CID 99117268
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol?
The IUPAC name of 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol (CID 70527623) is 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol.
What is the SMILES notation for 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol?
The canonical SMILES for 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol is CSC1c2cccc(O)c2NC1c1cccc2ccccc12.
What is the InChIKey of 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol?
The InChIKey is VMEBIVVXQQRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-22-19-15-10-5-11-16(21)17(15)20-18(19)14-9-4-7-12-6-2-3-8-13(12)14/h2-11,18-21H,1H3.
What are the key properties of 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol?
3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol has a molecular weight of 307.42 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-naphthalen-1-yl-2,3-dihydro-1H-indol-7-ol is sourced from PubChem (CID 70527623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).