1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole

C25H25NO — CID 159017435

IUPAC1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole
SMILESC=Cc1ccc(COC)cc1.C=Cc1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C15H13N.C10H12O/c1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;1-3-9-4-6-10(7-5-9)8-11-2/h3-10H,1H2,2H3;3-7H,1,8H2,2H3
InChIKeyJTGQEGFADUDVPM-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.45
Rot. Bonds4

About 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole

1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole (PubChem CID 159017435) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole.

Molecular Properties

Compound Name1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole
PubChem CID159017435
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole
SMILESC=Cc1ccc(COC)cc1.C=Cc1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C15H13N.C10H12O/c1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;1-3-9-4-6-10(7-5-9)8-11-2/h3-10H,1H2,2H3;3-7H,1,8H2,2H3
InChIKeyJTGQEGFADUDVPM-UHFFFAOYSA-N
XLogP6.45
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole
CID 102393691
1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395
(E)-3-(9-methylcarbazol-3-yl)prop-2-enal
CID 101182473
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-[4-(methoxymethyl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-9-[4-(methoxymethyl)phenyl]-N-phenylcarbazol-3-amine
CID 146848929
2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221538
3-ethenyl-9-(2-methylbutyl)carbazole
CID 69233320
4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 176734791
N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
ethane;bis(9-methylcarbazole)
CID 159710949
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
2-ethyl-9-methylcarbazole
CID 71038255

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole?
The IUPAC name of 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole (CID 159017435) is 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole.
What is the SMILES notation for 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole?
The canonical SMILES for 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole is C=Cc1ccc(COC)cc1.C=Cc1ccc2c(c1)c1ccccc1n2C.
What is the InChIKey of 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole?
The InChIKey is JTGQEGFADUDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C10H12O/c1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;1-3-9-4-6-10(7-5-9)8-11-2/h3-10H,1H2,2H3;3-7H,1,8H2,2H3.
What are the key properties of 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole?
1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole has a molecular weight of 355.48 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole is sourced from PubChem (CID 159017435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).