2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid

C17H16O4 — CID 70535600

IUPAC2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid
SMILESCOc1cc2c(cc1OC)-c1ccccc1C(C(=O)O)C2
InChIInChI=1S/C17H16O4/c1-20-15-8-10-7-14(17(18)19)12-6-4-3-5-11(12)13(10)9-16(15)21-2/h3-6,8-9,14H,7H2,1-2H3,(H,18,19)
InChIKeyITIJIPSMKRZZJD-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.10
Rot. Bonds3

About 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid

2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid (PubChem CID 70535600) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid
PubChem CID70535600
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid
SMILESCOc1cc2c(cc1OC)-c1ccccc1C(C(=O)O)C2
InChIInChI=1S/C17H16O4/c1-20-15-8-10-7-14(17(18)19)12-6-4-3-5-11(12)13(10)9-16(15)21-2/h3-6,8-9,14H,7H2,1-2H3,(H,18,19)
InChIKeyITIJIPSMKRZZJD-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 70537938
(7S)-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 7055821
3-methoxy-9,10-dihydrophenanthrene-9-carboxamide
CID 154254625
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
1-[(9R)-9,10-dihydrophenanthren-9-yl]ethanone
CID 102253511
5,6-dimethoxy-2-(4-methoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101491
2-(6,7-dimethoxy-1-oxo-3,4-dihydroisochromen-3-yl)acetic acid
CID 170585768
(2S)-2-(1-benzylpyridin-1-ium-4-carbonyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 98114223
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CID 88889516
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 7055845
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679968

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid?
The IUPAC name of 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid (CID 70535600) is 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid.
What is the SMILES notation for 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid?
The canonical SMILES for 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid is COc1cc2c(cc1OC)-c1ccccc1C(C(=O)O)C2.
What is the InChIKey of 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid?
The InChIKey is ITIJIPSMKRZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-15-8-10-7-14(17(18)19)12-6-4-3-5-11(12)13(10)9-16(15)21-2/h3-6,8-9,14H,7H2,1-2H3,(H,18,19).
What are the key properties of 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid?
2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid is sourced from PubChem (CID 70535600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).