2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol

C18H23NO4 — CID 139840097

IUPAC2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol
SMILESCOc1cccc(N(c2cccc(OC)c2)C(CO)CCO)c1
InChIInChI=1S/C18H23NO4/c1-22-17-7-3-5-14(11-17)19(16(13-21)9-10-20)15-6-4-8-18(12-15)23-2/h3-8,11-12,16,20-21H,9-10,13H2,1-2H3
InChIKeyWKWVQMSNVRJGPD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.59
Rot. Bonds8

About 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol

2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol (PubChem CID 139840097) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol.

Molecular Properties

Compound Name2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol
PubChem CID139840097
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol
SMILESCOc1cccc(N(c2cccc(OC)c2)C(CO)CCO)c1
InChIInChI=1S/C18H23NO4/c1-22-17-7-3-5-14(11-17)19(16(13-21)9-10-20)15-6-4-8-18(12-15)23-2/h3-8,11-12,16,20-21H,9-10,13H2,1-2H3
InChIKeyWKWVQMSNVRJGPD-UHFFFAOYSA-N
XLogP2.59
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
CID 70271768
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
3-methoxy-N,N-disilylaniline
CID 149149494
3-(3-methoxyphenyl)-5-methylhexan-1-ol
CID 112507986
2-bromo-2-(3-methoxyphenyl)ethanol
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1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 123769924
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
CID 58939356
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol?
The IUPAC name of 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol (CID 139840097) is 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol.
What is the SMILES notation for 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol?
The canonical SMILES for 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol is COc1cccc(N(c2cccc(OC)c2)C(CO)CCO)c1.
What is the InChIKey of 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol?
The InChIKey is WKWVQMSNVRJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-22-17-7-3-5-14(11-17)19(16(13-21)9-10-20)15-6-4-8-18(12-15)23-2/h3-8,11-12,16,20-21H,9-10,13H2,1-2H3.
What are the key properties of 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol?
2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol has a molecular weight of 317.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol is sourced from PubChem (CID 139840097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).