2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid

C17H18O3 — CID 141011089

IUPAC2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
SMILESCOc1ccc2ccc3c(c2c1)C(CC(=O)O)CCC3
InChIInChI=1S/C17H18O3/c1-20-14-8-7-11-5-6-12-3-2-4-13(9-16(18)19)17(12)15(11)10-14/h5-8,10,13H,2-4,9H2,1H3,(H,18,19)
InChIKeyZUTBDQXYWKIZJV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.74
Rot. Bonds3

About 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid

2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid (PubChem CID 141011089) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
PubChem CID141011089
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
SMILESCOc1ccc2ccc3c(c2c1)C(CC(=O)O)CCC3
InChIInChI=1S/C17H18O3/c1-20-14-8-7-11-5-6-12-3-2-4-13(9-16(18)19)17(12)15(11)10-14/h5-8,10,13H,2-4,9H2,1H3,(H,18,19)
InChIKeyZUTBDQXYWKIZJV-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 110447418
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11674685
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
CID 101347837
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene
CID 15285058
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid (CID 141011089) is 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid is COc1ccc2ccc3c(c2c1)C(CC(=O)O)CCC3.
What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid?
The InChIKey is ZUTBDQXYWKIZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-20-14-8-7-11-5-6-12-3-2-4-13(9-16(18)19)17(12)15(11)10-14/h5-8,10,13H,2-4,9H2,1H3,(H,18,19).
What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid?
2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid is sourced from PubChem (CID 141011089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).