10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid

C16H16O3 — CID 10729760

IUPAC10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
SMILESCOc1cc2ccccc2c2c1CC(C(=O)O)CC2
InChIInChI=1S/C16H16O3/c1-19-15-9-10-4-2-3-5-12(10)13-7-6-11(16(17)18)8-14(13)15/h2-5,9,11H,6-8H2,1H3,(H,17,18)
InChIKeyNYYKNVTUXIUFTI-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.04
Rot. Bonds2

About 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid

10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid (PubChem CID 10729760) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid.

Molecular Properties

Compound Name10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
PubChem CID10729760
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
SMILESCOc1cc2ccccc2c2c1CC(C(=O)O)CC2
InChIInChI=1S/C16H16O3/c1-19-15-9-10-4-2-3-5-12(10)13-7-6-11(16(17)18)8-14(13)15/h2-5,9,11H,6-8H2,1H3,(H,17,18)
InChIKeyNYYKNVTUXIUFTI-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid?
The IUPAC name of 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid (CID 10729760) is 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid.
What is the SMILES notation for 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid?
The canonical SMILES for 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid is COc1cc2ccccc2c2c1CC(C(=O)O)CC2.
What is the InChIKey of 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid?
The InChIKey is NYYKNVTUXIUFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-15-9-10-4-2-3-5-12(10)13-7-6-11(16(17)18)8-14(13)15/h2-5,9,11H,6-8H2,1H3,(H,17,18).
What are the key properties of 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid?
10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid is sourced from PubChem (CID 10729760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).