[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid

C20H18NO4P — CID 178181472

IUPAC[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
SMILESCCOc1ccc2c(c1)c1ccccc1n2-c1cccc(P(=O)(O)O)c1
InChIInChI=1S/C20H18NO4P/c1-2-25-15-10-11-20-18(13-15)17-8-3-4-9-19(17)21(20)14-6-5-7-16(12-14)26(22,23)24/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyFBDGWWKBMDELDX-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.99
Rot. Bonds4

About [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid

[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid (PubChem CID 178181472) has the molecular formula C20H18NO4P and a molecular weight of 367.34 g/mol. Its IUPAC name is [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid.

Molecular Properties

Compound Name[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
PubChem CID178181472
Molecular FormulaC20H18NO4P
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
SMILESCCOc1ccc2c(c1)c1ccccc1n2-c1cccc(P(=O)(O)O)c1
InChIInChI=1S/C20H18NO4P/c1-2-25-15-10-11-20-18(13-15)17-8-3-4-9-19(17)21(20)14-6-5-7-16(12-14)26(22,23)24/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyFBDGWWKBMDELDX-UHFFFAOYSA-N
XLogP3.99
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 178181460
[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244626
[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244545
9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
CID 140847862
[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244522
[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244570
[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid
CID 177244403
9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole
CID 164937824
(4-ethoxyphenyl)phosphonic acid
CID 2779466
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[3-[4-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244417
[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244510

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid?
The IUPAC name of [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid (CID 178181472) is [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid.
What is the SMILES notation for [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid?
The canonical SMILES for [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid is CCOc1ccc2c(c1)c1ccccc1n2-c1cccc(P(=O)(O)O)c1.
What is the InChIKey of [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid?
The InChIKey is FBDGWWKBMDELDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO4P/c1-2-25-15-10-11-20-18(13-15)17-8-3-4-9-19(17)21(20)14-6-5-7-16(12-14)26(22,23)24/h3-13H,2H2,1H3,(H2,22,23,24).
What are the key properties of [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid?
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid has a molecular weight of 367.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid is sourced from PubChem (CID 178181472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).