(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol

C15H18BrO4P — CID 86605950

IUPAC(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol
SMILESCCOP(=O)(OCC)C(O)c1ccc2ccccc2c1Br
InChIInChI=1S/C15H18BrO4P/c1-3-19-21(18,20-4-2)15(17)13-10-9-11-7-5-6-8-12(11)14(13)16/h5-10,15,17H,3-4H2,1-2H3
InChIKeyNDTDOYHDAMQOKM-UHFFFAOYSA-N
MW373.18 g/mol
LogP4.86
Rot. Bonds6

About (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol

(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol (PubChem CID 86605950) has the molecular formula C15H18BrO4P and a molecular weight of 373.18 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol
PubChem CID86605950
Molecular FormulaC15H18BrO4P
Molecular Weight373.18 g/mol
Exact Mass372.01
IUPAC Name(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol
SMILESCCOP(=O)(OCC)C(O)c1ccc2ccccc2c1Br
InChIInChI=1S/C15H18BrO4P/c1-3-19-21(18,20-4-2)15(17)13-10-9-11-7-5-6-8-12(11)14(13)16/h5-10,15,17H,3-4H2,1-2H3
InChIKeyNDTDOYHDAMQOKM-UHFFFAOYSA-N
XLogP4.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-(1-bromonaphthalen-2-yl)-3,4-dihydroxybutan-2-one
CID 101434991
1-[diethoxyphosphoryl(phenyl)methyl]naphthalene
CID 101476884
(2-bromo-5-ethoxyphenyl)-diethoxyphosphorylmethanol
CID 86621245
(S)-diethoxyphosphoryl-(2-nitrophenyl)methanol
CID 2313635
(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
CID 129391567
(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid
CID 66513273
4-diethoxyphosphoryl-4-naphthalen-1-ylbutanal
CID 54758130
(S)-(2-bromophenyl)-diethoxyphosphorylmethanamine
CID 171191613
anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
diethyl 2-(1-benzamidonaphthalen-2-yl)-3-diethoxyphosphorylbutanedioate
CID 11813671
(1-ethoxynaphthalen-2-yl)methylphosphonic acid
CID 152656147

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol?
The IUPAC name of (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol (CID 86605950) is (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol.
What is the SMILES notation for (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol?
The canonical SMILES for (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol is CCOP(=O)(OCC)C(O)c1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol?
The InChIKey is NDTDOYHDAMQOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrO4P/c1-3-19-21(18,20-4-2)15(17)13-10-9-11-7-5-6-8-12(11)14(13)16/h5-10,15,17H,3-4H2,1-2H3.
What are the key properties of (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol?
(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol has a molecular weight of 373.18 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol is sourced from PubChem (CID 86605950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).