2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]

C14H18O — CID 143815719

IUPAC2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
SMILESCOc1ccc2c(c1)CCCC1(CC1)C2
InChIInChI=1S/C14H18O/c1-15-13-5-4-12-10-14(7-8-14)6-2-3-11(12)9-13/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyGCNUAZVOWSKWBB-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.35
Rot. Bonds1

About 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]

2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane] (PubChem CID 143815719) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane].

Molecular Properties

Compound Name2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
PubChem CID143815719
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
SMILESCOc1ccc2c(c1)CCCC1(CC1)C2
InChIInChI=1S/C14H18O/c1-15-13-5-4-12-10-14(7-8-14)6-2-3-11(12)9-13/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyGCNUAZVOWSKWBB-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane] with MolForge

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Related Compounds

6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
(2,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105479196
2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10058698
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene
CID 142144693
1-(6-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
CID 22152309
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495

Frequently Asked Questions

What is the IUPAC name of 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]?
The IUPAC name of 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane] (CID 143815719) is 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane].
What is the SMILES notation for 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]?
The canonical SMILES for 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane] is COc1ccc2c(c1)CCCC1(CC1)C2.
What is the InChIKey of 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]?
The InChIKey is GCNUAZVOWSKWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-15-13-5-4-12-10-14(7-8-14)6-2-3-11(12)9-13/h4-5,9H,2-3,6-8,10H2,1H3.
What are the key properties of 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]?
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane] has a molecular weight of 202.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane] is sourced from PubChem (CID 143815719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).