methane;naphthalene;propan-2-one

C14H18O — CID 159038766

IUPACmethane;naphthalene;propan-2-one
SMILESC.CC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H6O.CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-3(2)4;/h1-8H;1-2H3;1H4
InChIKeyJVTYIQXAWHUWRL-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.07
Rot. Bonds

About methane;naphthalene;propan-2-one

methane;naphthalene;propan-2-one (PubChem CID 159038766) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is methane;naphthalene;propan-2-one.

Molecular Properties

Compound Namemethane;naphthalene;propan-2-one
PubChem CID159038766
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Namemethane;naphthalene;propan-2-one
SMILESC.CC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H6O.CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-3(2)4;/h1-8H;1-2H3;1H4
InChIKeyJVTYIQXAWHUWRL-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;naphthalene;propan-2-one?
The IUPAC name of methane;naphthalene;propan-2-one (CID 159038766) is methane;naphthalene;propan-2-one.
What is the SMILES notation for methane;naphthalene;propan-2-one?
The canonical SMILES for methane;naphthalene;propan-2-one is C.CC(C)=O.c1ccc2ccccc2c1.
What is the InChIKey of methane;naphthalene;propan-2-one?
The InChIKey is JVTYIQXAWHUWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C3H6O.CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-3(2)4;/h1-8H;1-2H3;1H4.
What are the key properties of methane;naphthalene;propan-2-one?
methane;naphthalene;propan-2-one has a molecular weight of 202.30 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;naphthalene;propan-2-one is sourced from PubChem (CID 159038766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).