2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]

C33H32O3 — CID 170744454

IUPAC2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
SMILESCCc1cc2c(cc1OCc1ccccc1)OC1(CCC1)c1cc(OCc3ccccc3)c(C)cc1-2
InChIInChI=1S/C33H32O3/c1-3-26-18-28-27-17-23(2)30(34-21-24-11-6-4-7-12-24)19-29(27)33(15-10-16-33)36-32(28)20-31(26)35-22-25-13-8-5-9-14-25/h4-9,11-14,17-20H,3,10,15-16,21-22H2,1-2H3
InChIKeySAENKPGPBIALIR-UHFFFAOYSA-N
MW476.62 g/mol
LogP8.15
Rot. Bonds7

About 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]

2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane] (PubChem CID 170744454) has the molecular formula C33H32O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane].

Molecular Properties

Compound Name2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
PubChem CID170744454
Molecular FormulaC33H32O3
Molecular Weight476.62 g/mol
Exact Mass476.24
IUPAC Name2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
SMILESCCc1cc2c(cc1OCc1ccccc1)OC1(CCC1)c1cc(OCc3ccccc3)c(C)cc1-2
InChIInChI=1S/C33H32O3/c1-3-26-18-28-27-17-23(2)30(34-21-24-11-6-4-7-12-24)19-29(27)33(15-10-16-33)36-32(28)20-31(26)35-22-25-13-8-5-9-14-25/h4-9,11-14,17-20H,3,10,15-16,21-22H2,1-2H3
InChIKeySAENKPGPBIALIR-UHFFFAOYSA-N
XLogP8.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane] with MolForge

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Related Compounds

9-ethyl-2-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
CID 170744452
8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]
CID 170744409
1-[4-ethyl-2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-5-phenylmethoxyphenyl]cyclobutan-1-ol
CID 170744426
1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol
CID 170744433
tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate
CID 170744484
1-ethyl-4-methyl-2-phenylmethoxy-5-[(Z)-prop-1-enyl]benzene
CID 143534725
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene
CID 170746175
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]?
The IUPAC name of 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane] (CID 170744454) is 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane].
What is the SMILES notation for 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]?
The canonical SMILES for 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane] is CCc1cc2c(cc1OCc1ccccc1)OC1(CCC1)c1cc(OCc3ccccc3)c(C)cc1-2.
What is the InChIKey of 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]?
The InChIKey is SAENKPGPBIALIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O3/c1-3-26-18-28-27-17-23(2)30(34-21-24-11-6-4-7-12-24)19-29(27)33(15-10-16-33)36-32(28)20-31(26)35-22-25-13-8-5-9-14-25/h4-9,11-14,17-20H,3,10,15-16,21-22H2,1-2H3.
What are the key properties of 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]?
2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane] has a molecular weight of 476.62 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane] is sourced from PubChem (CID 170744454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).