3-[(3-methoxyphenyl)-phenylmethylidene]azetidine

C17H17NO — CID 151096541

IUPAC3-[(3-methoxyphenyl)-phenylmethylidene]azetidine
SMILESCOc1cccc(C(=C2CNC2)c2ccccc2)c1
InChIInChI=1S/C17H17NO/c1-19-16-9-5-8-14(10-16)17(15-11-18-12-15)13-6-3-2-4-7-13/h2-10,18H,11-12H2,1H3
InChIKeyMNFQQRZEKCZBDQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.10
Rot. Bonds3

About 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine

3-[(3-methoxyphenyl)-phenylmethylidene]azetidine (PubChem CID 151096541) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)-phenylmethylidene]azetidine
PubChem CID151096541
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-[(3-methoxyphenyl)-phenylmethylidene]azetidine
SMILESCOc1cccc(C(=C2CNC2)c2ccccc2)c1
InChIInChI=1S/C17H17NO/c1-19-16-9-5-8-14(10-16)17(15-11-18-12-15)13-6-3-2-4-7-13/h2-10,18H,11-12H2,1H3
InChIKeyMNFQQRZEKCZBDQ-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]phenol
CID 141465495
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-methoxy-3-[1-(2-methylphenyl)ethenyl]benzene
CID 102265187
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine?
The IUPAC name of 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine (CID 151096541) is 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine.
What is the SMILES notation for 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine?
The canonical SMILES for 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine is COc1cccc(C(=C2CNC2)c2ccccc2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine?
The InChIKey is MNFQQRZEKCZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-19-16-9-5-8-14(10-16)17(15-11-18-12-15)13-6-3-2-4-7-13/h2-10,18H,11-12H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine?
3-[(3-methoxyphenyl)-phenylmethylidene]azetidine has a molecular weight of 251.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)-phenylmethylidene]azetidine is sourced from PubChem (CID 151096541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).