pentylbenzene;phosphorous acid

C11H19O3P — CID 174842783

IUPACpentylbenzene;phosphorous acid
SMILESCCCCCc1ccccc1.OP(O)O
InChIInChI=1S/C11H16.H3O3P/c1-2-3-5-8-11-9-6-4-7-10-11;1-4(2)3/h4,6-7,9-10H,2-3,5,8H2,1H3;1-3H
InChIKeySBNORZDASCYUFO-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.61
Rot. Bonds4

About pentylbenzene;phosphorous acid

pentylbenzene;phosphorous acid (PubChem CID 174842783) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is pentylbenzene;phosphorous acid.

Molecular Properties

Compound Namepentylbenzene;phosphorous acid
PubChem CID174842783
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Namepentylbenzene;phosphorous acid
SMILESCCCCCc1ccccc1.OP(O)O
InChIInChI=1S/C11H16.H3O3P/c1-2-3-5-8-11-9-6-4-7-10-11;1-4(2)3/h4,6-7,9-10H,2-3,5,8H2,1H3;1-3H
InChIKeySBNORZDASCYUFO-UHFFFAOYSA-N
XLogP2.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexylbenzene;hydrogen peroxide
CID 90001206
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
carbonic acid;pentylbenzene
CID 157127683
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
CID 70103153
CID 70103153
potassium;hydride;octadecylbenzene
CID 173344678

Frequently Asked Questions

What is the IUPAC name of pentylbenzene;phosphorous acid?
The IUPAC name of pentylbenzene;phosphorous acid (CID 174842783) is pentylbenzene;phosphorous acid.
What is the SMILES notation for pentylbenzene;phosphorous acid?
The canonical SMILES for pentylbenzene;phosphorous acid is CCCCCc1ccccc1.OP(O)O.
What is the InChIKey of pentylbenzene;phosphorous acid?
The InChIKey is SBNORZDASCYUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.H3O3P/c1-2-3-5-8-11-9-6-4-7-10-11;1-4(2)3/h4,6-7,9-10H,2-3,5,8H2,1H3;1-3H.
What are the key properties of pentylbenzene;phosphorous acid?
pentylbenzene;phosphorous acid has a molecular weight of 230.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentylbenzene;phosphorous acid is sourced from PubChem (CID 174842783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).