(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride

C18H24Cl2O2 — CID 67941860

IUPAC(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
SMILESCl.Cl.O[C@H](CCc1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H22O2.2ClH/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16;;/h1-10,17-20H,11-14H2;2*1H/t17-,18-;;/m1../s1
InChIKeyZDSUXCOLZLKMSV-RKDOVGOJSA-N
MW343.29 g/mol
LogP3.82
Rot. Bonds7

About (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride

(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride (PubChem CID 67941860) has the molecular formula C18H24Cl2O2 and a molecular weight of 343.29 g/mol. Its IUPAC name is (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride.

Molecular Properties

Compound Name(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
PubChem CID67941860
Molecular FormulaC18H24Cl2O2
Molecular Weight343.29 g/mol
Exact Mass342.12
IUPAC Name(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
SMILESCl.Cl.O[C@H](CCc1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H22O2.2ClH/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16;;/h1-10,17-20H,11-14H2;2*1H/t17-,18-;;/m1../s1
InChIKeyZDSUXCOLZLKMSV-RKDOVGOJSA-N
XLogP3.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
(2R)-1-imino-4-phenylbutan-2-ol
CID 11333114
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
2,3-dihydroxy-1,5-diphenylpentan-1-one
CID 12776717
(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
CID 71658091
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
4-(aminomethyl)-1-phenylhexan-3-ol
CID 65187755
2-amino-4-phenylbutan-1-ol
CID 159249603

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride?
The IUPAC name of (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride (CID 67941860) is (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride.
What is the SMILES notation for (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride?
The canonical SMILES for (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride is Cl.Cl.O[C@H](CCc1ccccc1)[C@H](O)CCc1ccccc1.
What is the InChIKey of (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride?
The InChIKey is ZDSUXCOLZLKMSV-RKDOVGOJSA-N. The full InChI is InChI=1S/C18H22O2.2ClH/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16;;/h1-10,17-20H,11-14H2;2*1H/t17-,18-;;/m1../s1.
What are the key properties of (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride?
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride has a molecular weight of 343.29 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride is sourced from PubChem (CID 67941860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).