6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one

C16H18O3 — CID 11118740

IUPAC6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one
SMILESCOc1cc(OC)c2c(c1)C1=C(CCCC1=O)CC2
InChIInChI=1S/C16H18O3/c1-18-11-8-13-12(15(9-11)19-2)7-6-10-4-3-5-14(17)16(10)13/h8-9H,3-7H2,1-2H3
InChIKeyHTRINBIDOGELEW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.16
Rot. Bonds2

About 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one

6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one (PubChem CID 11118740) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one.

Molecular Properties

Compound Name6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one
PubChem CID11118740
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one
SMILESCOc1cc(OC)c2c(c1)C1=C(CCCC1=O)CC2
InChIInChI=1S/C16H18O3/c1-18-11-8-13-12(15(9-11)19-2)7-6-10-4-3-5-14(17)16(10)13/h8-9H,3-7H2,1-2H3
InChIKeyHTRINBIDOGELEW-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
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6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one
CID 134958827
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
6,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 121016424
2-[(2,4-dimethoxyanilino)methylidene]cyclopentan-1-one
CID 4523453

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one?
The IUPAC name of 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one (CID 11118740) is 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one.
What is the SMILES notation for 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one?
The canonical SMILES for 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one is COc1cc(OC)c2c(c1)C1=C(CCCC1=O)CC2.
What is the InChIKey of 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one?
The InChIKey is HTRINBIDOGELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-11-8-13-12(15(9-11)19-2)7-6-10-4-3-5-14(17)16(10)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one?
6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one has a molecular weight of 258.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one is sourced from PubChem (CID 11118740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).