chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane

C30H26ClOP — CID 139877593

IUPACchloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane
SMILESCOc1ccc2cc(CP(Cl)(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C30H26ClOP/c1-32-27-20-19-25-21-24(17-18-26(25)22-27)23-33(31,28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-22H,23H2,1H3
InChIKeyRRMKEZHMTWSLBQ-UHFFFAOYSA-N
MW468.96 g/mol
LogP7.03
Rot. Bonds6

About chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane

chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane (PubChem CID 139877593) has the molecular formula C30H26ClOP and a molecular weight of 468.96 g/mol. Its IUPAC name is chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane
PubChem CID139877593
Molecular FormulaC30H26ClOP
Molecular Weight468.96 g/mol
Exact Mass468.14
IUPAC Namechloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane
SMILESCOc1ccc2cc(CP(Cl)(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C30H26ClOP/c1-32-27-20-19-25-21-24(17-18-26(25)22-27)23-33(31,28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-22H,23H2,1H3
InChIKeyRRMKEZHMTWSLBQ-UHFFFAOYSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.96
LogP ≤ 57.03
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

chloro-[[2,5-dimethoxy-4-(naphthalen-2-ylmethyl)phenyl]methyl]-triphenyl-λ5-phosphane
CID 59922598
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane
CID 140526465
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane
CID 118733306
2-methoxy-6-phenylnaphthalene
CID 11253308
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
CID 116924817

Frequently Asked Questions

What is the IUPAC name of chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane?
The IUPAC name of chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane (CID 139877593) is chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane is COc1ccc2cc(CP(Cl)(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane?
The InChIKey is RRMKEZHMTWSLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClOP/c1-32-27-20-19-25-21-24(17-18-26(25)22-27)23-33(31,28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-22H,23H2,1H3.
What are the key properties of chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane?
chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane has a molecular weight of 468.96 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 139877593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).