7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one

C15H16O2 — CID 615098

IUPAC7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
SMILESCOc1ccc2c(c1)CCC1=C2CCCC1=O
InChIInChI=1S/C15H16O2/c1-17-11-6-8-12-10(9-11)5-7-14-13(12)3-2-4-15(14)16/h6,8-9H,2-5,7H2,1H3
InChIKeyFQSUSXXSHPWBMR-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.15
Rot. Bonds1

About 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one

7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one (PubChem CID 615098) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one.

Molecular Properties

Compound Name7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
PubChem CID615098
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
SMILESCOc1ccc2c(c1)CCC1=C2CCCC1=O
InChIInChI=1S/C15H16O2/c1-17-11-6-8-12-10(9-11)5-7-14-13(12)3-2-4-15(14)16/h6,8-9H,2-5,7H2,1H3
InChIKeyFQSUSXXSHPWBMR-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
7-methoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251755
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
(13S)-3-methoxy-13-methyl-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
CID 1259524
8-methoxy-1,4a-dimethyl-3,4,5,6,11,12-hexahydrochrysen-2-one
CID 626247
(13R)-13-ethyl-3-methoxy-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
CID 40572070
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 89318567
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one?
The IUPAC name of 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one (CID 615098) is 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one.
What is the SMILES notation for 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one?
The canonical SMILES for 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one is COc1ccc2c(c1)CCC1=C2CCCC1=O.
What is the InChIKey of 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one?
The InChIKey is FQSUSXXSHPWBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-17-11-6-8-12-10(9-11)5-7-14-13(12)3-2-4-15(14)16/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one?
7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one has a molecular weight of 228.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one is sourced from PubChem (CID 615098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).