1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol

C26H27O2P — CID 102399893

IUPAC1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
SMILESCC(C)P(=O)(c1ccc2ccccc2c1-c1c(O)ccc2ccccc12)C(C)C
InChIInChI=1S/C26H27O2P/c1-17(2)29(28,18(3)4)24-16-14-20-10-6-8-12-22(20)26(24)25-21-11-7-5-9-19(21)13-15-23(25)27/h5-18,27H,1-4H3
InChIKeyALEHLAYECHZJKT-UHFFFAOYSA-N
MW402.47 g/mol
LogP7.17
Rot. Bonds4

About 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol

1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol (PubChem CID 102399893) has the molecular formula C26H27O2P and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
PubChem CID102399893
Molecular FormulaC26H27O2P
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
SMILESCC(C)P(=O)(c1ccc2ccccc2c1-c1c(O)ccc2ccccc12)C(C)C
InChIInChI=1S/C26H27O2P/c1-17(2)29(28,18(3)4)24-16-14-20-10-6-8-12-22(20)26(24)25-21-11-7-5-9-19(21)13-15-23(25)27/h5-18,27H,1-4H3
InChIKeyALEHLAYECHZJKT-UHFFFAOYSA-N
XLogP7.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol
CID 102399892
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 10459654
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
CID 20606068
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
CID 15162418
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
CID 58219550

Frequently Asked Questions

What is the IUPAC name of 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol (CID 102399893) is 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol is CC(C)P(=O)(c1ccc2ccccc2c1-c1c(O)ccc2ccccc12)C(C)C.
What is the InChIKey of 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is ALEHLAYECHZJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27O2P/c1-17(2)29(28,18(3)4)24-16-14-20-10-6-8-12-22(20)26(24)25-21-11-7-5-9-19(21)13-15-23(25)27/h5-18,27H,1-4H3.
What are the key properties of 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 402.47 g/mol, XLogP of 7.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 102399893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).