(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol

C16H17BrO — CID 107002540

IUPAC(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H17BrO/c1-16(2)9-13(16)15(18)12-7-8-14(17)11-6-4-3-5-10(11)12/h3-8,13,15,18H,9H2,1-2H3
InChIKeyDBOPBBGWOANOJA-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.68
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol

(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol (PubChem CID 107002540) has the molecular formula C16H17BrO and a molecular weight of 305.21 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol
PubChem CID107002540
Molecular FormulaC16H17BrO
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H17BrO/c1-16(2)9-13(16)15(18)12-7-8-14(17)11-6-4-3-5-10(11)12/h3-8,13,15,18H,9H2,1-2H3
InChIKeyDBOPBBGWOANOJA-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107002440
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
1-bromo-4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]naphthalene
CID 79596807
1-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
1-bromo-4-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]naphthalene
CID 79594151
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
CID 107005403
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376
1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
CID 79597706
1,4-dibromonaphthalene
CID 162208061

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol?
The IUPAC name of (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol (CID 107002540) is (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol is CC1(C)CC1C(O)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol?
The InChIKey is DBOPBBGWOANOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-16(2)9-13(16)15(18)12-7-8-14(17)11-6-4-3-5-10(11)12/h3-8,13,15,18H,9H2,1-2H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol?
(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol has a molecular weight of 305.21 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol is sourced from PubChem (CID 107002540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).