1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol

C23H20N2O2 — CID 118736450

IUPAC1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
SMILESCC(O)(c1cccc(OCc2ccccc2)c1)c1ncnc2ccccc12
InChIInChI=1S/C23H20N2O2/c1-23(26,22-20-12-5-6-13-21(20)24-16-25-22)18-10-7-11-19(14-18)27-15-17-8-3-2-4-9-17/h2-14,16,26H,15H2,1H3
InChIKeyDUVPMXNFUWEQFX-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.46
Rot. Bonds5

About 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol

1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol (PubChem CID 118736450) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
PubChem CID118736450
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
SMILESCC(O)(c1cccc(OCc2ccccc2)c1)c1ncnc2ccccc12
InChIInChI=1S/C23H20N2O2/c1-23(26,22-20-12-5-6-13-21(20)24-16-25-22)18-10-7-11-19(14-18)27-15-17-8-3-2-4-9-17/h2-14,16,26H,15H2,1H3
InChIKeyDUVPMXNFUWEQFX-UHFFFAOYSA-N
XLogP4.46
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 118736449
2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
CID 59527442
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
CID 15049958
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-[2-(3-methylbutoxy)propan-2-yl]-3-phenylmethoxybenzene
CID 171082478
(2R,3S)-3-benzyl-4-(dimethylamino)-2-(3-phenylmethoxyphenyl)butan-2-ol;hydrochloride
CID 70009427
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol
CID 166175292
1-(2-methyl-1-prop-2-enoxypropan-2-yl)-3-phenylmethoxybenzene
CID 59204436

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol (CID 118736450) is 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol is CC(O)(c1cccc(OCc2ccccc2)c1)c1ncnc2ccccc12.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol?
The InChIKey is DUVPMXNFUWEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-23(26,22-20-12-5-6-13-21(20)24-16-25-22)18-10-7-11-19(14-18)27-15-17-8-3-2-4-9-17/h2-14,16,26H,15H2,1H3.
What are the key properties of 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol?
1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol has a molecular weight of 356.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol is sourced from PubChem (CID 118736450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).