[2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol

C33H32O3 — CID 21355749

IUPAC[2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol
SMILESCc1ccc(C2(c3ccc(C)cc3)C=Cc3c(CO)cc4c5c(c(C)cc4c3O2)CC(C)(C)O5)cc1
InChIInChI=1S/C33H32O3/c1-20-6-10-24(11-7-20)33(25-12-8-21(2)9-13-25)15-14-26-23(19-34)17-28-27(30(26)36-33)16-22(3)29-18-32(4,5)35-31(28)29/h6-17,34H,18-19H2,1-5H3
InChIKeyNXBZNAHBVPEEMY-UHFFFAOYSA-N
MW476.62 g/mol
LogP7.32
Rot. Bonds3

About [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol

[2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol (PubChem CID 21355749) has the molecular formula C33H32O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol.

Molecular Properties

Compound Name[2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol
PubChem CID21355749
Molecular FormulaC33H32O3
Molecular Weight476.62 g/mol
Exact Mass476.24
IUPAC Name[2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol
SMILESCc1ccc(C2(c3ccc(C)cc3)C=Cc3c(CO)cc4c5c(c(C)cc4c3O2)CC(C)(C)O5)cc1
InChIInChI=1S/C33H32O3/c1-20-6-10-24(11-7-20)33(25-12-8-21(2)9-13-25)15-14-26-23(19-34)17-28-27(30(26)36-33)16-22(3)29-18-32(4,5)35-31(28)29/h6-17,34H,18-19H2,1-5H3
InChIKeyNXBZNAHBVPEEMY-UHFFFAOYSA-N
XLogP7.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

18,21,21-trimethyl-5-phenyl-5-(4-phenylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
CID 170015510
carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)
CID 163604783
4-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-3-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),5,8,10,12,15,17,19-nonaene
CID 58184552
2-[9-methyl-2-[4-(1-methylpiperidin-1-ium-1-yl)phenyl]-2-phenylbenzo[h]chromen-5-yl]acetic acid
CID 69107163
(2,2-diphenylbenzo[h]chromen-6-yl)methanol
CID 132567770
ethane;2,2,4,7-tetramethyl-3H-1-benzofuran
CID 177194510
2,2,4,5,7-pentamethyl-3H-1-benzofuran
CID 19047070
10-methyl-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)-6-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene
CID 118178854
CID 174145271
CID 174145271
5,5-bis(4-methylphenyl)-1',1'-diphenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane]
CID 122674494
ethane;5-methyl-6-[(4-methylphenyl)methyl]-3,3-diphenylbenzo[f]chromene
CID 123566536
21-ethynyl-10,18-dimethyl-5-(4-methylphenyl)-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-21-ol
CID 142029099

Frequently Asked Questions

What is the IUPAC name of [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol?
The IUPAC name of [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol (CID 21355749) is [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol.
What is the SMILES notation for [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol?
The canonical SMILES for [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol is Cc1ccc(C2(c3ccc(C)cc3)C=Cc3c(CO)cc4c5c(c(C)cc4c3O2)CC(C)(C)O5)cc1.
What is the InChIKey of [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol?
The InChIKey is NXBZNAHBVPEEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O3/c1-20-6-10-24(11-7-20)33(25-12-8-21(2)9-13-25)15-14-26-23(19-34)17-28-27(30(26)36-33)16-22(3)29-18-32(4,5)35-31(28)29/h6-17,34H,18-19H2,1-5H3.
What are the key properties of [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol?
[2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol has a molecular weight of 476.62 g/mol, XLogP of 7.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,11-trimethyl-8,8-bis(4-methylphenyl)-1H-[1]benzofuro[7,6-h]chromen-5-yl]methanol is sourced from PubChem (CID 21355749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).