(2-methoxy-3-methylphenyl)methyl hydrogen carbonate

C10H12O4 — CID 66777091

IUPAC(2-methoxy-3-methylphenyl)methyl hydrogen carbonate
SMILESCOc1c(C)cccc1COC(=O)O
InChIInChI=1S/C10H12O4/c1-7-4-3-5-8(9(7)13-2)6-14-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyKFFCTVFAPQHZLM-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.20
Rot. Bonds3

About (2-methoxy-3-methylphenyl)methyl hydrogen carbonate

(2-methoxy-3-methylphenyl)methyl hydrogen carbonate (PubChem CID 66777091) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2-methoxy-3-methylphenyl)methyl hydrogen carbonate.

Molecular Properties

Compound Name(2-methoxy-3-methylphenyl)methyl hydrogen carbonate
PubChem CID66777091
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2-methoxy-3-methylphenyl)methyl hydrogen carbonate
SMILESCOc1c(C)cccc1COC(=O)O
InChIInChI=1S/C10H12O4/c1-7-4-3-5-8(9(7)13-2)6-14-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyKFFCTVFAPQHZLM-UHFFFAOYSA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
(2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate
CID 67587850
2-[(2-methoxy-3-methylphenyl)methyl]butanoic acid
CID 169488668
(2-butoxy-3-butylphenyl)methyl hydrogen carbonate
CID 67299359
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
CID 175079027
CID 175079027
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
acetic acid;[2-(methoxymethyl)-6-methylphenyl] 2-iodoacetate
CID 175235485
1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
CID 82395060
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-methylphenyl)methyl hydrogen carbonate?
The IUPAC name of (2-methoxy-3-methylphenyl)methyl hydrogen carbonate (CID 66777091) is (2-methoxy-3-methylphenyl)methyl hydrogen carbonate.
What is the SMILES notation for (2-methoxy-3-methylphenyl)methyl hydrogen carbonate?
The canonical SMILES for (2-methoxy-3-methylphenyl)methyl hydrogen carbonate is COc1c(C)cccc1COC(=O)O.
What is the InChIKey of (2-methoxy-3-methylphenyl)methyl hydrogen carbonate?
The InChIKey is KFFCTVFAPQHZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7-4-3-5-8(9(7)13-2)6-14-10(11)12/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of (2-methoxy-3-methylphenyl)methyl hydrogen carbonate?
(2-methoxy-3-methylphenyl)methyl hydrogen carbonate has a molecular weight of 196.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-methylphenyl)methyl hydrogen carbonate is sourced from PubChem (CID 66777091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).