(2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone

C21H18O2 — CID 102261669

IUPAC(2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone
SMILESC[C@]1(c2ccc3ccccc3c2)C[C@@H]1C(=O)c1ccccc1O
InChIInChI=1S/C21H18O2/c1-21(16-11-10-14-6-2-3-7-15(14)12-16)13-18(21)20(23)17-8-4-5-9-19(17)22/h2-12,18,22H,13H2,1H3/t18-,21-/m1/s1
InChIKeyIKYUFUNPKUKWMV-WIYYLYMNSA-N
MW302.37 g/mol
LogP4.71
Rot. Bonds3

About (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone

(2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone (PubChem CID 102261669) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone
PubChem CID102261669
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone
SMILESC[C@]1(c2ccc3ccccc3c2)C[C@@H]1C(=O)c1ccccc1O
InChIInChI=1S/C21H18O2/c1-21(16-11-10-14-6-2-3-7-15(14)12-16)13-18(21)20(23)17-8-4-5-9-19(17)22/h2-12,18,22H,13H2,1H3/t18-,21-/m1/s1
InChIKeyIKYUFUNPKUKWMV-WIYYLYMNSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 102346585
(2-hydroxy-3-methylphenyl)-[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanone
CID 139114971
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol
CID 175100911
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
2-(1-methylcyclopropyl)naphthalene
CID 10511657
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
2-methyl-2-naphthalen-2-ylcyclobutane-1-carbonitrile
CID 172635798
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
(2-hydroxyphenyl)-(oxiran-2-yl)methanone
CID 10820908

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone (CID 102261669) is (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone is C[C@]1(c2ccc3ccccc3c2)C[C@@H]1C(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone?
The InChIKey is IKYUFUNPKUKWMV-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H18O2/c1-21(16-11-10-14-6-2-3-7-15(14)12-16)13-18(21)20(23)17-8-4-5-9-19(17)22/h2-12,18,22H,13H2,1H3/t18-,21-/m1/s1.
What are the key properties of (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone?
(2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone has a molecular weight of 302.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone is sourced from PubChem (CID 102261669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).