[5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane

C27H27OP — CID 139996353

IUPAC[5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane
SMILESCOc1ccc(C2=C(C)C(C)=C(C)C2)c(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H27OP/c1-19-17-26(21(3)20(19)2)25-16-15-22(28-4)18-27(25)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,18H,17H2,1-4H3
InChIKeyJOIIPSXDNNALCV-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.97
Rot. Bonds5

About [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane

[5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane (PubChem CID 139996353) has the molecular formula C27H27OP and a molecular weight of 398.49 g/mol. Its IUPAC name is [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane
PubChem CID139996353
Molecular FormulaC27H27OP
Molecular Weight398.49 g/mol
Exact Mass398.18
IUPAC Name[5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane
SMILESCOc1ccc(C2=C(C)C(C)=C(C)C2)c(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H27OP/c1-19-17-26(21(3)20(19)2)25-16-15-22(28-4)18-27(25)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,18H,17H2,1-4H3
InChIKeyJOIIPSXDNNALCV-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane
CID 141347456
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 25059236
7-methoxy-10H-phenanthren-9-one
CID 135042116
2-(3,5-dimethoxyphenyl)-3-methyl-1H-indene
CID 134983349
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-diphenylphosphane
CID 158970449
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 138732432
bis(4-methoxyphenyl)-[6-[(3-methoxyphenyl)-(4-methoxyphenyl)phosphanyl]phenoxathiin-4-yl]phosphane
CID 127262675
N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 173091972

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane?
The IUPAC name of [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane (CID 139996353) is [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane is COc1ccc(C2=C(C)C(C)=C(C)C2)c(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane?
The InChIKey is JOIIPSXDNNALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27OP/c1-19-17-26(21(3)20(19)2)25-16-15-22(28-4)18-27(25)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,18H,17H2,1-4H3.
What are the key properties of [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane?
[5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane has a molecular weight of 398.49 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 139996353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).