ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid

C27H42O4 — CID 159098387

IUPACethane;methane;naphthalene;2-phenylacetic acid;propanoic acid
SMILESC.C.CC.CC.CCC(=O)O.O=C(O)Cc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8O2.C3H6O2.2C2H6.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-7-4-2-1-3-5-7;1-2-3(4)5;2*1-2;;/h1-8H;1-5H,6H2,(H,9,10);2H2,1H3,(H,4,5);2*1-2H3;2*1H4
InChIKeyKCYPANUIRQDFFI-UHFFFAOYSA-N
MW430.63 g/mol
LogP7.96
Rot. Bonds3

About ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid

ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid (PubChem CID 159098387) has the molecular formula C27H42O4 and a molecular weight of 430.63 g/mol. Its IUPAC name is ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid.

Molecular Properties

Compound Nameethane;methane;naphthalene;2-phenylacetic acid;propanoic acid
PubChem CID159098387
Molecular FormulaC27H42O4
Molecular Weight430.63 g/mol
Exact Mass430.31
IUPAC Nameethane;methane;naphthalene;2-phenylacetic acid;propanoic acid
SMILESC.C.CC.CC.CCC(=O)O.O=C(O)Cc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8O2.C3H6O2.2C2H6.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-7-4-2-1-3-5-7;1-2-3(4)5;2*1-2;;/h1-8H;1-5H,6H2,(H,9,10);2H2,1H3,(H,4,5);2*1-2H3;2*1H4
InChIKeyKCYPANUIRQDFFI-UHFFFAOYSA-N
XLogP7.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 57.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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formaldehyde;2-phenylacetic acid
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calcium;hydride;2-phenylacetic acid
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N-ethylethanamine;2-phenylacetic acid
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2-phenylacetic acid;propanedioic acid
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chloro hypochlorite;2-phenylacetic acid
CID 174297587
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Frequently Asked Questions

What is the IUPAC name of ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid?
The IUPAC name of ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid (CID 159098387) is ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid.
What is the SMILES notation for ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid?
The canonical SMILES for ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid is C.C.CC.CC.CCC(=O)O.O=C(O)Cc1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid?
The InChIKey is KCYPANUIRQDFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H8O2.C3H6O2.2C2H6.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-7-4-2-1-3-5-7;1-2-3(4)5;2*1-2;;/h1-8H;1-5H,6H2,(H,9,10);2H2,1H3,(H,4,5);2*1-2H3;2*1H4.
What are the key properties of ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid?
ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid has a molecular weight of 430.63 g/mol, XLogP of 7.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid is sourced from PubChem (CID 159098387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).