7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C18H17FO3 — CID 175973526

IUPAC7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCOc1ccc(-c2ccc3c(c2)C(C(=O)O)CCC3)cc1F
InChIInChI=1S/C18H17FO3/c1-22-17-8-7-13(10-16(17)19)12-6-5-11-3-2-4-14(18(20)21)15(11)9-12/h5-10,14H,2-4H2,1H3,(H,20,21)
InChIKeyNUZTYQBDOHHRBL-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.01
Rot. Bonds3

About 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 175973526) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID175973526
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCOc1ccc(-c2ccc3c(c2)C(C(=O)O)CCC3)cc1F
InChIInChI=1S/C18H17FO3/c1-22-17-8-7-13(10-16(17)19)12-6-5-11-3-2-4-14(18(20)21)15(11)9-12/h5-10,14H,2-4H2,1H3,(H,20,21)
InChIKeyNUZTYQBDOHHRBL-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
CID 58055361
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 110447418
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 82027305
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541544
3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 65096147
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 175973526) is 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is COc1ccc(-c2ccc3c(c2)C(C(=O)O)CCC3)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is NUZTYQBDOHHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c1-22-17-8-7-13(10-16(17)19)12-6-5-11-3-2-4-14(18(20)21)15(11)9-12/h5-10,14H,2-4H2,1H3,(H,20,21).
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 300.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 175973526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).