8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]

C27H28O3 — CID 170744409

IUPAC8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]
SMILESCOc1cc2c(cc1C)-c1cc(C)c(OCc3ccccc3)cc1OC21CCCC1
InChIInChI=1S/C27H28O3/c1-18-13-21-22-14-19(2)25(29-17-20-9-5-4-6-10-20)16-26(22)30-27(11-7-8-12-27)23(21)15-24(18)28-3/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3
InChIKeyBDCYJUMBBAEOSC-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.72
Rot. Bonds4

About 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]

8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane] (PubChem CID 170744409) has the molecular formula C27H28O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane].

Molecular Properties

Compound Name8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]
PubChem CID170744409
Molecular FormulaC27H28O3
Molecular Weight400.52 g/mol
Exact Mass400.20
IUPAC Name8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]
SMILESCOc1cc2c(cc1C)-c1cc(C)c(OCc3ccccc3)cc1OC21CCCC1
InChIInChI=1S/C27H28O3/c1-18-13-21-22-14-19(2)25(29-17-20-9-5-4-6-10-20)16-26(22)30-27(11-7-8-12-27)23(21)15-24(18)28-3/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3
InChIKeyBDCYJUMBBAEOSC-UHFFFAOYSA-N
XLogP6.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane] 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
2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
CID 170744454
1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol
CID 170744433
1-[4-ethyl-2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-5-phenylmethoxyphenyl]cyclobutan-1-ol
CID 170744426
tert-butyl N-(2,6,6,9-tetramethyl-8-phenylmethoxybenzo[c]chromen-3-yl)carbamate
CID 170744484
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 3130452
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
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
1-methoxy-5-methyl-2-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene
CID 124644927
8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole
CID 88638466

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]?
The IUPAC name of 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane] (CID 170744409) is 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane].
What is the SMILES notation for 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]?
The canonical SMILES for 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane] is COc1cc2c(cc1C)-c1cc(C)c(OCc3ccccc3)cc1OC21CCCC1.
What is the InChIKey of 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]?
The InChIKey is BDCYJUMBBAEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O3/c1-18-13-21-22-14-19(2)25(29-17-20-9-5-4-6-10-20)16-26(22)30-27(11-7-8-12-27)23(21)15-24(18)28-3/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3.
What are the key properties of 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]?
8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane] has a molecular weight of 400.52 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane] is sourced from PubChem (CID 170744409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).