ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid

C14H18O3 — CID 142209991

IUPACethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
SMILESCC.COc1ccc2c(c1)CC=C2CC(=O)O
InChIInChI=1S/C12H12O3.C2H6/c1-15-10-4-5-11-8(6-10)2-3-9(11)7-12(13)14;1-2/h3-6H,2,7H2,1H3,(H,13,14);1-2H3
InChIKeyBSMKESZLSAWSMG-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.14
Rot. Bonds3

About ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid

ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid (PubChem CID 142209991) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
PubChem CID142209991
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
SMILESCC.COc1ccc2c(c1)CC=C2CC(=O)O
InChIInChI=1S/C12H12O3.C2H6/c1-15-10-4-5-11-8(6-10)2-3-9(11)7-12(13)14;1-2/h3-6H,2,7H2,1H3,(H,13,14);1-2H3
InChIKeyBSMKESZLSAWSMG-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6-methoxy-3H-inden-1-yl)pentan-2-one
CID 158347332
2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 19048915
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
CID 82054161
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
N-benzyl-N-(6-methoxy-3H-inden-1-yl)propanamide
CID 54527664
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid
CID 166242317
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide
CID 54390668

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid?
The IUPAC name of ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid (CID 142209991) is ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid.
What is the SMILES notation for ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid?
The canonical SMILES for ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid is CC.COc1ccc2c(c1)CC=C2CC(=O)O.
What is the InChIKey of ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid?
The InChIKey is BSMKESZLSAWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3.C2H6/c1-15-10-4-5-11-8(6-10)2-3-9(11)7-12(13)14;1-2/h3-6H,2,7H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid?
ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid has a molecular weight of 234.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid is sourced from PubChem (CID 142209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).