[(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol

C18H18O — CID 98142200

IUPAC[(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol
SMILESOC[C@@H]1Cc2ccccc2[C@@]2(c3ccccc3)C[C@H]12
InChIInChI=1S/C18H18O/c19-12-14-10-13-6-4-5-9-16(13)18(11-17(14)18)15-7-2-1-3-8-15/h1-9,14,17,19H,10-12H2/t14-,17+,18-/m0/s1
InChIKeyNKHYBFKYBMPCFR-QGTPRVQTSA-N
MW250.34 g/mol
LogP3.16
Rot. Bonds2

About [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol

[(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol (PubChem CID 98142200) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol
PubChem CID98142200
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name[(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol
SMILESOC[C@@H]1Cc2ccccc2[C@@]2(c3ccccc3)C[C@H]12
InChIInChI=1S/C18H18O/c19-12-14-10-13-6-4-5-9-16(13)18(11-17(14)18)15-7-2-1-3-8-15/h1-9,14,17,19H,10-12H2/t14-,17+,18-/m0/s1
InChIKeyNKHYBFKYBMPCFR-QGTPRVQTSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol?
The IUPAC name of [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol (CID 98142200) is [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol.
What is the SMILES notation for [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol?
The canonical SMILES for [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol is OC[C@@H]1Cc2ccccc2[C@@]2(c3ccccc3)C[C@H]12.
What is the InChIKey of [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol?
The InChIKey is NKHYBFKYBMPCFR-QGTPRVQTSA-N. The full InChI is InChI=1S/C18H18O/c19-12-14-10-13-6-4-5-9-16(13)18(11-17(14)18)15-7-2-1-3-8-15/h1-9,14,17,19H,10-12H2/t14-,17+,18-/m0/s1.
What are the key properties of [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol?
[(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1aR,2R,7bS)-7b-phenyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-2-yl]methanol is sourced from PubChem (CID 98142200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).