(4-chlorophenyl)-di(propan-2-yloxy)phosphane

C12H18ClO2P — CID 13155221

IUPAC(4-chlorophenyl)-di(propan-2-yloxy)phosphane
SMILESCC(C)OP(OC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClO2P/c1-9(2)14-16(15-10(3)4)12-7-5-11(13)6-8-12/h5-10H,1-4H3
InChIKeyOHJTXYAMTUXSMW-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.13
Rot. Bonds5

About (4-chlorophenyl)-di(propan-2-yloxy)phosphane

(4-chlorophenyl)-di(propan-2-yloxy)phosphane (PubChem CID 13155221) has the molecular formula C12H18ClO2P and a molecular weight of 260.70 g/mol. Its IUPAC name is (4-chlorophenyl)-di(propan-2-yloxy)phosphane.

Molecular Properties

Compound Name(4-chlorophenyl)-di(propan-2-yloxy)phosphane
PubChem CID13155221
Molecular FormulaC12H18ClO2P
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name(4-chlorophenyl)-di(propan-2-yloxy)phosphane
SMILESCC(C)OP(OC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClO2P/c1-9(2)14-16(15-10(3)4)12-7-5-11(13)6-8-12/h5-10H,1-4H3
InChIKeyOHJTXYAMTUXSMW-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane
CID 144923425
1-(4-chlorophenyl)ethylazanium
CID 18541873
(4-chlorophenyl)-ethoxy-phenoxyphosphane
CID 18983521
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
bis(4-chlorophenyl)phosphinous acid
CID 11608741
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
4-chlorophenol;methoxymethane
CID 23617160
azane;1,4-dichlorobenzene
CID 69330361
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
1-(4-chlorophenyl)ethaneselenol
CID 139265582
1-(2-bromo-3-methylpentyl)-4-chlorobenzene
CID 63543295

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-di(propan-2-yloxy)phosphane?
The IUPAC name of (4-chlorophenyl)-di(propan-2-yloxy)phosphane (CID 13155221) is (4-chlorophenyl)-di(propan-2-yloxy)phosphane.
What is the SMILES notation for (4-chlorophenyl)-di(propan-2-yloxy)phosphane?
The canonical SMILES for (4-chlorophenyl)-di(propan-2-yloxy)phosphane is CC(C)OP(OC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-di(propan-2-yloxy)phosphane?
The InChIKey is OHJTXYAMTUXSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClO2P/c1-9(2)14-16(15-10(3)4)12-7-5-11(13)6-8-12/h5-10H,1-4H3.
What are the key properties of (4-chlorophenyl)-di(propan-2-yloxy)phosphane?
(4-chlorophenyl)-di(propan-2-yloxy)phosphane has a molecular weight of 260.70 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-di(propan-2-yloxy)phosphane is sourced from PubChem (CID 13155221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).