CID 104978954

C18H24O2 — CID 104978954

IUPAC—
SMILESO[C@H]1CC2(CCC3(CCCC3)CC2)Oc2ccccc21
InChIInChI=1S/C18H24O2/c19-15-13-18(20-16-6-2-1-5-14(15)16)11-9-17(10-12-18)7-3-4-8-17/h1-2,5-6,15,19H,3-4,7-13H2/t15-/m0/s1
InChIKeyXSWCIYFCFCTZCH-HNNXBMFYSA-N
MW272.39 g/mol
LogP4.38
Rot. Bonds

About CID 104978954

CID 104978954 (PubChem CID 104978954) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol.

Molecular Properties

Compound NameCID 104978954
PubChem CID104978954
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name—
SMILESO[C@H]1CC2(CCC3(CCCC3)CC2)Oc2ccccc21
InChIInChI=1S/C18H24O2/c19-15-13-18(20-16-6-2-1-5-14(15)16)11-9-17(10-12-18)7-3-4-8-17/h1-2,5-6,15,19H,3-4,7-13H2/t15-/m0/s1
InChIKeyXSWCIYFCFCTZCH-HNNXBMFYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
CID 104950092
(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950101
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114714851
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949941
1'-(2-hydroxy-2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 16677629
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114714975
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060

Frequently Asked Questions

What is the IUPAC name of CID 104978954?
The IUPAC name of CID 104978954 (CID 104978954) is not available.
What is the SMILES notation for CID 104978954?
The canonical SMILES for CID 104978954 is O[C@H]1CC2(CCC3(CCCC3)CC2)Oc2ccccc21.
What is the InChIKey of CID 104978954?
The InChIKey is XSWCIYFCFCTZCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24O2/c19-15-13-18(20-16-6-2-1-5-14(15)16)11-9-17(10-12-18)7-3-4-8-17/h1-2,5-6,15,19H,3-4,7-13H2/t15-/m0/s1.
What are the key properties of CID 104978954?
CID 104978954 has a molecular weight of 272.39 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 104978954 is sourced from PubChem (CID 104978954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).