CID 131844912

C8H9O2 — CID 131844912

IUPAC—
SMILESCOc1cc(C)ccc1[O]
InChIInChI=1S/C8H9O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3
InChIKeyMGTOXDSTANRCLF-UHFFFAOYSA-N
MW137.16 g/mol
LogP2.15
Rot. Bonds1

About CID 131844912

CID 131844912 (PubChem CID 131844912) has the molecular formula C8H9O2 and a molecular weight of 137.16 g/mol.

Molecular Properties

Compound NameCID 131844912
PubChem CID131844912
Molecular FormulaC8H9O2
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name—
SMILESCOc1cc(C)ccc1[O]
InChIInChI=1S/C8H9O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3
InChIKeyMGTOXDSTANRCLF-UHFFFAOYSA-N
XLogP2.15
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
2-methoxy-4-methylbenzenesulfonyl fluoride
CID 141209179
(2-methoxy-4-methylphenyl)-methylphosphane
CID 142090054
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
S-(2-methoxy-4-methylphenyl)thiohydroxylamine
CID 142317823
CID 175002505
CID 175002505
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
(2-methoxy-4-methylphenyl)sulfamic acid
CID 57354125
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
3-methoxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 13159350

Frequently Asked Questions

What is the IUPAC name of CID 131844912?
The IUPAC name of CID 131844912 (CID 131844912) is not available.
What is the SMILES notation for CID 131844912?
The canonical SMILES for CID 131844912 is COc1cc(C)ccc1[O].
What is the InChIKey of CID 131844912?
The InChIKey is MGTOXDSTANRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3.
What are the key properties of CID 131844912?
CID 131844912 has a molecular weight of 137.16 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131844912 is sourced from PubChem (CID 131844912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).