carbonic acid;1-hexyl-2-phenylbenzene

C19H24O3 — CID 67180533

IUPACcarbonic acid;1-hexyl-2-phenylbenzene
SMILESCCCCCCc1ccccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C18H22.CH2O3/c1-2-3-4-6-11-17-14-9-10-15-18(17)16-12-7-5-8-13-16;2-1(3)4/h5,7-10,12-15H,2-4,6,11H2,1H3;(H2,2,3,4)
InChIKeyFSJUTAHQWGTNSY-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.70
Rot. Bonds6

About carbonic acid;1-hexyl-2-phenylbenzene

carbonic acid;1-hexyl-2-phenylbenzene (PubChem CID 67180533) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is carbonic acid;1-hexyl-2-phenylbenzene.

Molecular Properties

Compound Namecarbonic acid;1-hexyl-2-phenylbenzene
PubChem CID67180533
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Namecarbonic acid;1-hexyl-2-phenylbenzene
SMILESCCCCCCc1ccccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C18H22.CH2O3/c1-2-3-4-6-11-17-14-9-10-15-18(17)16-12-7-5-8-13-16;2-1(3)4/h5,7-10,12-15H,2-4,6,11H2,1H3;(H2,2,3,4)
InChIKeyFSJUTAHQWGTNSY-UHFFFAOYSA-N
XLogP5.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
gold;1-pentyl-2-phenylbenzene
CID 174945702
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
1-dodecyl-2-phenylbenzene;methyl prop-2-enoate
CID 174679155
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
carbonic acid;1-(6-methylheptyl)-2-phenylbenzene
CID 159621881
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
carbonic acid;bis(2-nonylphenol)
CID 69221300
3-dodecyl-4-phenylbenzoic acid
CID 19933758
1-hexyl-2,3-diphenylbenzene
CID 54065322

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-hexyl-2-phenylbenzene?
The IUPAC name of carbonic acid;1-hexyl-2-phenylbenzene (CID 67180533) is carbonic acid;1-hexyl-2-phenylbenzene.
What is the SMILES notation for carbonic acid;1-hexyl-2-phenylbenzene?
The canonical SMILES for carbonic acid;1-hexyl-2-phenylbenzene is CCCCCCc1ccccc1-c1ccccc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-hexyl-2-phenylbenzene?
The InChIKey is FSJUTAHQWGTNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.CH2O3/c1-2-3-4-6-11-17-14-9-10-15-18(17)16-12-7-5-8-13-16;2-1(3)4/h5,7-10,12-15H,2-4,6,11H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-hexyl-2-phenylbenzene?
carbonic acid;1-hexyl-2-phenylbenzene has a molecular weight of 300.40 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-hexyl-2-phenylbenzene is sourced from PubChem (CID 67180533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).