CID 142437651

C14H16O3 — CID 142437651

IUPAC—
SMILESOC1CC12CC[C@]1(Cc3ccccc3CO1)O2
InChIInChI=1S/C14H16O3/c15-12-8-13(12)5-6-14(17-13)7-10-3-1-2-4-11(10)9-16-14/h1-4,12,15H,5-9H2/t12?,13?,14-/m1/s1
InChIKeyIASCIFZBHVESBN-JXQTWKCFSA-N
MW232.28 g/mol
LogP1.77
Rot. Bonds

About CID 142437651

CID 142437651 (PubChem CID 142437651) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol.

Molecular Properties

Compound NameCID 142437651
PubChem CID142437651
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name—
SMILESOC1CC12CC[C@]1(Cc3ccccc3CO1)O2
InChIInChI=1S/C14H16O3/c15-12-8-13(12)5-6-14(17-13)7-10-3-1-2-4-11(10)9-16-14/h1-4,12,15H,5-9H2/t12?,13?,14-/m1/s1
InChIKeyIASCIFZBHVESBN-JXQTWKCFSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2'R,3S,3'S)-2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437622
2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437645
(3S,3'R,4'S)-spiro[1,4-dihydroisochromene-3,6'-oxane]-3',4'-diol;(3R,3'S,4'R,5'R)-spiro[1,4-dihydroisochromene-3,2'-oxane]-3',4',5'-triol
CID 157289188
[(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol
CID 142437642
spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
CID 10560784
methyl (3S,4'R)-4'-phenylspiro[1,4-dihydroisochromene-3,2'-3,4-dihydropyran]-6'-carboxylate
CID 134955043
tri(propan-2-yl)-[(2'R,3S,3'S)-2'-[tri(propan-2-yl)silyloxymethyl]spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-yl]oxysilane
CID 142437628
(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol
CID 175705995
(3'S)-spiro[1,3-dihydroindene-2,4'-oxepane]-3'-ol
CID 155077299
spiro[1,5-dihydro-2,4-benzodioxepine-3,2'-cyclopropane]-1'-carbonitrile
CID 10655689
3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]
CID 134986595
2-(3-bromofuran-2-yl)-1,3-dihydroinden-2-ol
CID 63950629

Frequently Asked Questions

What is the IUPAC name of CID 142437651?
The IUPAC name of CID 142437651 (CID 142437651) is not available.
What is the SMILES notation for CID 142437651?
The canonical SMILES for CID 142437651 is OC1CC12CC[C@]1(Cc3ccccc3CO1)O2.
What is the InChIKey of CID 142437651?
The InChIKey is IASCIFZBHVESBN-JXQTWKCFSA-N. The full InChI is InChI=1S/C14H16O3/c15-12-8-13(12)5-6-14(17-13)7-10-3-1-2-4-11(10)9-16-14/h1-4,12,15H,5-9H2/t12?,13?,14-/m1/s1.
What are the key properties of CID 142437651?
CID 142437651 has a molecular weight of 232.28 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142437651 is sourced from PubChem (CID 142437651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).