ethane;(4-methylphenyl)methanol;hydrate

C10H18O2 — CID 144684706

IUPACethane;(4-methylphenyl)methanol;hydrate
SMILESCC.Cc1ccc(CO)cc1.O
InChIInChI=1S/C8H10O.C2H6.H2O/c1-7-2-4-8(6-9)5-3-7;1-2;/h2-5,9H,6H2,1H3;1-2H3;1H2
InChIKeyKURNMAUUXNIUQJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.69
Rot. Bonds1

About ethane;(4-methylphenyl)methanol;hydrate

ethane;(4-methylphenyl)methanol;hydrate (PubChem CID 144684706) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethane;(4-methylphenyl)methanol;hydrate.

Molecular Properties

Compound Nameethane;(4-methylphenyl)methanol;hydrate
PubChem CID144684706
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethane;(4-methylphenyl)methanol;hydrate
SMILESCC.Cc1ccc(CO)cc1.O
InChIInChI=1S/C8H10O.C2H6.H2O/c1-7-2-4-8(6-9)5-3-7;1-2;/h2-5,9H,6H2,1H3;1-2H3;1H2
InChIKeyKURNMAUUXNIUQJ-UHFFFAOYSA-N
XLogP1.69
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylphenyl)methanol
CID 138734499
[4-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]phenyl]methanol
CID 121329886
1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol
CID 157395568
ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
CID 144873732
1,1,1,3,3,3-hexachloropropan-2-one;(4-methylphenyl)methanol
CID 91571540
(4-chlorophenyl)methanol;4-methylphenol
CID 158049041
[4-(hydroxymethyl)benzoyl] 4-methylbenzenecarboperoxoate
CID 163593523
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
CID 160602999
ethane;methanol;1,4-xylene
CID 171074418
4-(hydroxymethyl)phenol;hydrate
CID 141133894
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)methanol;hydrate?
The IUPAC name of ethane;(4-methylphenyl)methanol;hydrate (CID 144684706) is ethane;(4-methylphenyl)methanol;hydrate.
What is the SMILES notation for ethane;(4-methylphenyl)methanol;hydrate?
The canonical SMILES for ethane;(4-methylphenyl)methanol;hydrate is CC.Cc1ccc(CO)cc1.O.
What is the InChIKey of ethane;(4-methylphenyl)methanol;hydrate?
The InChIKey is KURNMAUUXNIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C2H6.H2O/c1-7-2-4-8(6-9)5-3-7;1-2;/h2-5,9H,6H2,1H3;1-2H3;1H2.
What are the key properties of ethane;(4-methylphenyl)methanol;hydrate?
ethane;(4-methylphenyl)methanol;hydrate has a molecular weight of 170.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)methanol;hydrate is sourced from PubChem (CID 144684706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).