benzene;ethane;2-phenoxypropan-1-ol

C17H24O2 — CID 145115512

IUPACbenzene;ethane;2-phenoxypropan-1-ol
SMILESCC.CC(CO)Oc1ccccc1.c1ccccc1
InChIInChI=1S/C9H12O2.C6H6.C2H6/c1-8(7-10)11-9-5-3-2-4-6-9;1-2-4-6-5-3-1;1-2/h2-6,8,10H,7H2,1H3;1-6H;1-2H3
InChIKeyUDEBHYQAEOSTDR-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.16
Rot. Bonds3

About benzene;ethane;2-phenoxypropan-1-ol

benzene;ethane;2-phenoxypropan-1-ol (PubChem CID 145115512) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is benzene;ethane;2-phenoxypropan-1-ol.

Molecular Properties

Compound Namebenzene;ethane;2-phenoxypropan-1-ol
PubChem CID145115512
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namebenzene;ethane;2-phenoxypropan-1-ol
SMILESCC.CC(CO)Oc1ccccc1.c1ccccc1
InChIInChI=1S/C9H12O2.C6H6.C2H6/c1-8(7-10)11-9-5-3-2-4-6-9;1-2-4-6-5-3-1;1-2/h2-6,8,10H,7H2,1H3;1-6H;1-2H3
InChIKeyUDEBHYQAEOSTDR-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
2-(3-aminophenoxy)propan-1-ol
CID 130503390
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
CID 21408033
4,4-dimethylhexan-2-yloxybenzene
CID 143103780
6-bromohexan-2-yloxybenzene
CID 150425058
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol
CID 46939521

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;2-phenoxypropan-1-ol?
The IUPAC name of benzene;ethane;2-phenoxypropan-1-ol (CID 145115512) is benzene;ethane;2-phenoxypropan-1-ol.
What is the SMILES notation for benzene;ethane;2-phenoxypropan-1-ol?
The canonical SMILES for benzene;ethane;2-phenoxypropan-1-ol is CC.CC(CO)Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;2-phenoxypropan-1-ol?
The InChIKey is UDEBHYQAEOSTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C6H6.C2H6/c1-8(7-10)11-9-5-3-2-4-6-9;1-2-4-6-5-3-1;1-2/h2-6,8,10H,7H2,1H3;1-6H;1-2H3.
What are the key properties of benzene;ethane;2-phenoxypropan-1-ol?
benzene;ethane;2-phenoxypropan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;2-phenoxypropan-1-ol is sourced from PubChem (CID 145115512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).