chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane

C38H34ClO2P — CID 59922598

IUPACchloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane
SMILESCOc1cc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1Cc1ccc2ccccc2c1
InChIInChI=1S/C38H34ClO2P/c1-40-37-27-33(38(41-2)26-32(37)25-29-22-23-30-14-12-13-15-31(30)24-29)28-42(39,34-16-6-3-7-17-34,35-18-8-4-9-19-35)36-20-10-5-11-21-36/h3-24,26-27H,25,28H2,1-2H3
InChIKeyJXKLMSRMJLPFLJ-UHFFFAOYSA-N
MW589.12 g/mol
LogP8.63
Rot. Bonds9

About chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane

chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane (PubChem CID 59922598) has the molecular formula C38H34ClO2P and a molecular weight of 589.12 g/mol. Its IUPAC name is chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane
PubChem CID59922598
Molecular FormulaC38H34ClO2P
Molecular Weight589.12 g/mol
Exact Mass588.20
IUPAC Namechloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane
SMILESCOc1cc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1Cc1ccc2ccccc2c1
InChIInChI=1S/C38H34ClO2P/c1-40-37-27-33(38(41-2)26-32(37)25-29-22-23-30-14-12-13-15-31(30)24-29)28-42(39,34-16-6-3-7-17-34,35-18-8-4-9-19-35)36-20-10-5-11-21-36/h3-24,26-27H,25,28H2,1-2H3
InChIKeyJXKLMSRMJLPFLJ-UHFFFAOYSA-N
XLogP8.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.12
LogP ≤ 58.63
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

chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane
CID 139877593
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
2-[(3-fluoro-4-methoxyphenyl)methyl]naphthalene
CID 132602819
1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 30629580
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-benzylnaphthalene
CID 11948
1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270
chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane
CID 12651437
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene
CID 86082412
4-benzyl-3-methoxyaniline
CID 22599955

Frequently Asked Questions

What is the IUPAC name of chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The IUPAC name of chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane (CID 59922598) is chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane is COc1cc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1Cc1ccc2ccccc2c1.
What is the InChIKey of chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The InChIKey is JXKLMSRMJLPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34ClO2P/c1-40-37-27-33(38(41-2)26-32(37)25-29-22-23-30-14-12-13-15-31(30)24-29)28-42(39,34-16-6-3-7-17-34,35-18-8-4-9-19-35)36-20-10-5-11-21-36/h3-24,26-27H,25,28H2,1-2H3.
What are the key properties of chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane has a molecular weight of 589.12 g/mol, XLogP of 8.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 59922598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).