2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol

C28H28O2 — CID 163545005

IUPAC2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol
SMILESCOc1ccc2c(O)cc3c(c2c1)-c1ccccc1C31C(C)(C)C23CC2CCC13C
InChIInChI=1S/C28H28O2/c1-25(2)27-15-16(27)11-12-26(27,3)28(25)21-8-6-5-7-19(21)24-20-13-17(30-4)9-10-18(20)23(29)14-22(24)28/h5-10,13-14,16,29H,11-12,15H2,1-4H3
InChIKeyFEHJZIQDKMKNAQ-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.67
Rot. Bonds1

About 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol

2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol (PubChem CID 163545005) has the molecular formula C28H28O2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol.

Molecular Properties

Compound Name2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol
PubChem CID163545005
Molecular FormulaC28H28O2
Molecular Weight396.53 g/mol
Exact Mass396.21
IUPAC Name2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol
SMILESCOc1ccc2c(O)cc3c(c2c1)-c1ccccc1C31C(C)(C)C23CC2CCC13C
InChIInChI=1S/C28H28O2/c1-25(2)27-15-16(27)11-12-26(27,3)28(25)21-8-6-5-7-19(21)24-20-13-17(30-4)9-10-18(20)23(29)14-22(24)28/h5-10,13-14,16,29H,11-12,15H2,1-4H3
InChIKeyFEHJZIQDKMKNAQ-UHFFFAOYSA-N
XLogP6.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol with MolForge

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Related Compounds

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CID 68850071
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CID 59480291
3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
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CID 170317987
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
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CID 101145578
21-benzyl-11-methoxy-3,4-bis(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-21-ol
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol?
The IUPAC name of 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol (CID 163545005) is 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol.
What is the SMILES notation for 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol?
The canonical SMILES for 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol is COc1ccc2c(O)cc3c(c2c1)-c1ccccc1C31C(C)(C)C23CC2CCC13C.
What is the InChIKey of 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol?
The InChIKey is FEHJZIQDKMKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O2/c1-25(2)27-15-16(27)11-12-26(27,3)28(25)21-8-6-5-7-19(21)24-20-13-17(30-4)9-10-18(20)23(29)14-22(24)28/h5-10,13-14,16,29H,11-12,15H2,1-4H3.
What are the key properties of 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol?
2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol has a molecular weight of 396.53 g/mol, XLogP of 6.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol is sourced from PubChem (CID 163545005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).