2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol

C17H16O2 — CID 20782807

IUPAC2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol
SMILESCC1c2ccccc2OC2(c3ccccc3O)CC12
InChIInChI=1S/C17H16O2/c1-11-12-6-2-5-9-16(12)19-17(10-14(11)17)13-7-3-4-8-15(13)18/h2-9,11,14,18H,10H2,1H3
InChIKeyNHJXAHJDSVKHRS-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.80
Rot. Bonds1

About 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol

2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol (PubChem CID 20782807) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol.

Molecular Properties

Compound Name2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol
PubChem CID20782807
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol
SMILESCC1c2ccccc2OC2(c3ccccc3O)CC12
InChIInChI=1S/C17H16O2/c1-11-12-6-2-5-9-16(12)19-17(10-14(11)17)13-7-3-4-8-15(13)18/h2-9,11,14,18H,10H2,1H3
InChIKeyNHJXAHJDSVKHRS-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]
CID 163386607
(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene
CID 11892906
(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate
CID 11312023
(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 11118112
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
2-(2-methyl-3,4-dihydrochromen-2-yl)phenol
CID 134834710
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104950010
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
2-[(1S,9R,17R,18S,26R)-9,18-dimethyl-8,16,25-trioxaheptacyclo[15.8.1.11,18.02,7.09,26.010,15.019,24]heptacosa-2,4,6,10,12,14,19,21,23-nonaen-17-yl]phenol
CID 15439730
(1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
CID 98120960

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol?
The IUPAC name of 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol (CID 20782807) is 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol.
What is the SMILES notation for 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol?
The canonical SMILES for 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol is CC1c2ccccc2OC2(c3ccccc3O)CC12.
What is the InChIKey of 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol?
The InChIKey is NHJXAHJDSVKHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-12-6-2-5-9-16(12)19-17(10-14(11)17)13-7-3-4-8-15(13)18/h2-9,11,14,18H,10H2,1H3.
What are the key properties of 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol?
2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol has a molecular weight of 252.31 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol is sourced from PubChem (CID 20782807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).