carbonic acid;1-methylnaphthalene

C12H12O3 — CID 66808059

IUPACcarbonic acid;1-methylnaphthalene
SMILESCc1cccc2ccccc12.O=C(O)O
InChIInChI=1S/C11H10.CH2O3/c1-9-5-4-7-10-6-2-3-8-11(9)10;2-1(3)4/h2-8H,1H3;(H2,2,3,4)
InChIKeySRBJKXDXPFUXIG-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.37
Rot. Bonds

About carbonic acid;1-methylnaphthalene

carbonic acid;1-methylnaphthalene (PubChem CID 66808059) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is carbonic acid;1-methylnaphthalene.

Molecular Properties

Compound Namecarbonic acid;1-methylnaphthalene
PubChem CID66808059
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namecarbonic acid;1-methylnaphthalene
SMILESCc1cccc2ccccc12.O=C(O)O
InChIInChI=1S/C11H10.CH2O3/c1-9-5-4-7-10-6-2-3-8-11(9)10;2-1(3)4/h2-8H,1H3;(H2,2,3,4)
InChIKeySRBJKXDXPFUXIG-UHFFFAOYSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methylnaphthalene;toluene
CID 91013579
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
acetylene;ethane;1-methylnaphthalene
CID 167495690
1-methylnaphthalene;stilbene
CID 173370087
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
methane;1-methylphenanthrene
CID 175001905
CID 174430147
CID 174430147
methylcarbamic acid;naphthalen-1-ol
CID 53442833
2-methylbenzene-1,3-dicarboxylic acid;1-(2-methylphenyl)naphthalene
CID 174256313
acetic acid;7-bromo-1-methylnaphthalene
CID 67781344
butan-1-amine;1-methylnaphthalene
CID 143588906
1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene
CID 161192435

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-methylnaphthalene?
The IUPAC name of carbonic acid;1-methylnaphthalene (CID 66808059) is carbonic acid;1-methylnaphthalene.
What is the SMILES notation for carbonic acid;1-methylnaphthalene?
The canonical SMILES for carbonic acid;1-methylnaphthalene is Cc1cccc2ccccc12.O=C(O)O.
What is the InChIKey of carbonic acid;1-methylnaphthalene?
The InChIKey is SRBJKXDXPFUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.CH2O3/c1-9-5-4-7-10-6-2-3-8-11(9)10;2-1(3)4/h2-8H,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-methylnaphthalene?
carbonic acid;1-methylnaphthalene has a molecular weight of 204.22 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-methylnaphthalene is sourced from PubChem (CID 66808059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).