(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H22O2 — CID 104949996

IUPAC(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CC(C)CC2(C1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C16H22O2/c1-11-7-12(2)9-16(8-11)10-14(17)13-5-3-4-6-15(13)18-16/h3-6,11-12,14,17H,7-10H2,1-2H3/t11?,12?,14-,16?/m0/s1
InChIKeyKDAADVDDSDMACT-VWVFYJPSSA-N
MW246.35 g/mol
LogP3.70
Rot. Bonds

About (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104949996) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104949996
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CC(C)CC2(C1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C16H22O2/c1-11-7-12(2)9-16(8-11)10-14(17)13-5-3-4-6-15(13)18-16/h3-6,11-12,14,17H,7-10H2,1-2H3/t11?,12?,14-,16?/m0/s1
InChIKeyKDAADVDDSDMACT-VWVFYJPSSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104950010
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711957
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-7-methoxy-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948842
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
CID 104978954
CID 104978954
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
CID 104950092
2,2-diphenyl-3,4-dihydrochromen-4-ol
CID 56694912

Frequently Asked Questions

What is the IUPAC name of (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104949996) is (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC1CC(C)CC2(C1)C[C@H](O)c1ccccc1O2.
What is the InChIKey of (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is KDAADVDDSDMACT-VWVFYJPSSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-7-12(2)9-16(8-11)10-14(17)13-5-3-4-6-15(13)18-16/h3-6,11-12,14,17H,7-10H2,1-2H3/t11?,12?,14-,16?/m0/s1.
What are the key properties of (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 246.35 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104949996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).