6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

C19H18O4 — CID 102167345

IUPAC6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)CC(C(=O)O)=C2
InChIInChI=1S/C19H18O4/c1-22-17-10-13-8-14(19(20)21)9-15(12-6-4-3-5-7-12)16(13)11-18(17)23-2/h3-8,10-11,15H,9H2,1-2H3,(H,20,21)
InChIKeyJFPUGGXZSPEMMA-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.71
Rot. Bonds4

About 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 102167345) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID102167345
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)CC(C(=O)O)=C2
InChIInChI=1S/C19H18O4/c1-22-17-10-13-8-14(19(20)21)9-15(12-6-4-3-5-7-12)16(13)11-18(17)23-2/h3-8,10-11,15H,9H2,1-2H3,(H,20,21)
InChIKeyJFPUGGXZSPEMMA-UHFFFAOYSA-N
XLogP3.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
tert-butyl N-[(1S,2R)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-yl]carbamate
CID 11326505
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 132579460
(5E)-2,3-dimethoxy-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxylic acid
CID 10106763
(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10446565
[(1S,2R)-3-benzoyl-2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2-dihydronaphthalen-1-yl]-phenylmethanone
CID 71561880
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
(Z)-but-2-enedioate;7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 20838253
5-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 70186189
N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 44556371

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 102167345) is 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is COc1cc2c(cc1OC)C(c1ccccc1)CC(C(=O)O)=C2.
What is the InChIKey of 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is JFPUGGXZSPEMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-22-17-10-13-8-14(19(20)21)9-15(12-6-4-3-5-7-12)16(13)11-18(17)23-2/h3-8,10-11,15H,9H2,1-2H3,(H,20,21).
What are the key properties of 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 102167345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).