(2-octylphenoxy)phosphane

C14H23OP — CID 163637323

IUPAC(2-octylphenoxy)phosphane
SMILESCCCCCCCCc1ccccc1OP
InChIInChI=1S/C14H23OP/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15-16/h8-9,11-12H,2-7,10,16H2,1H3
InChIKeyIBHHWIIJRKKDMB-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.76
Rot. Bonds8

About (2-octylphenoxy)phosphane

(2-octylphenoxy)phosphane (PubChem CID 163637323) has the molecular formula C14H23OP and a molecular weight of 238.31 g/mol. Its IUPAC name is (2-octylphenoxy)phosphane.

Molecular Properties

Compound Name(2-octylphenoxy)phosphane
PubChem CID163637323
Molecular FormulaC14H23OP
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(2-octylphenoxy)phosphane
SMILESCCCCCCCCc1ccccc1OP
InChIInChI=1S/C14H23OP/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15-16/h8-9,11-12H,2-7,10,16H2,1H3
InChIKeyIBHHWIIJRKKDMB-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-methoxy-2-tetradecylbenzene
CID 69169530
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-heptyl-2-octadecoxybenzene
CID 139667653
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
tributyl-(2-nonylphenoxy)stannane
CID 16684544
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of (2-octylphenoxy)phosphane?
The IUPAC name of (2-octylphenoxy)phosphane (CID 163637323) is (2-octylphenoxy)phosphane.
What is the SMILES notation for (2-octylphenoxy)phosphane?
The canonical SMILES for (2-octylphenoxy)phosphane is CCCCCCCCc1ccccc1OP.
What is the InChIKey of (2-octylphenoxy)phosphane?
The InChIKey is IBHHWIIJRKKDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23OP/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15-16/h8-9,11-12H,2-7,10,16H2,1H3.
What are the key properties of (2-octylphenoxy)phosphane?
(2-octylphenoxy)phosphane has a molecular weight of 238.31 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octylphenoxy)phosphane is sourced from PubChem (CID 163637323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).