4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium

C27H23O2+ — CID 134911427

IUPAC4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium
SMILESCOc1ccc(Cc2cc(-c3ccccc3)[o+]c3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C27H23O2/c1-28-23-14-11-19(12-15-23)17-22-18-26(21-8-3-2-4-9-21)29-27-24-10-6-5-7-20(24)13-16-25(22)27/h2-12,14-15,18H,13,16-17H2,1H3/q+1
InChIKeyUAYBKXLLSZVOLX-UHFFFAOYSA-N
MW379.48 g/mol
LogP6.59
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium

4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium (PubChem CID 134911427) has the molecular formula C27H23O2+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium
PubChem CID134911427
Molecular FormulaC27H23O2+
Molecular Weight379.48 g/mol
Exact Mass379.17
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium
SMILESCOc1ccc(Cc2cc(-c3ccccc3)[o+]c3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C27H23O2/c1-28-23-14-11-19(12-15-23)17-22-18-26(21-8-3-2-4-9-21)29-27-24-10-6-5-7-20(24)13-16-25(22)27/h2-12,14-15,18H,13,16-17H2,1H3/q+1
InChIKeyUAYBKXLLSZVOLX-UHFFFAOYSA-N
XLogP6.59
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,19-dimethoxy-13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 27017806
7-(2,6-diphenylpyrylium-4-yl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate
CID 44889744
7,19-dimethoxy-13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene perchlorate
CID 43833401
4-(4-methoxyphenyl)-2-phenyl-5,6-dihydrobenzo[h]thiochromen-1-ium
CID 24840522
2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium
CID 3822012
1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene
CID 69239963
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine
CID 139606564
1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium (CID 134911427) is 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium is COc1ccc(Cc2cc(-c3ccccc3)[o+]c3c2CCc2ccccc2-3)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium?
The InChIKey is UAYBKXLLSZVOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23O2/c1-28-23-14-11-19(12-15-23)17-22-18-26(21-8-3-2-4-9-21)29-27-24-10-6-5-7-20(24)13-16-25(22)27/h2-12,14-15,18H,13,16-17H2,1H3/q+1.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium?
4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium has a molecular weight of 379.48 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium is sourced from PubChem (CID 134911427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).